 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_LCPBE_augccpVDZ.in
 Output=34_Cutfc2_180_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/34_Cutfc2_180_STD/Gau-10745.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10747.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=120GB
 %chk=34_Cutfc2_180_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(XQC,NoSymm,
 MaxCyc=120,Tight) Polar=ROA Guess=Read Geom=Check CPHF=(MaxInv=10000,R
 dFreq) IOp(1/33=1,3/107=0180000000,3/108=0180000000,3/119=1000000000,3
 /120=1000000000,3/130=-1,3/131=-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,27=11,30=1,36=2,74=1001009,75=-5,107=180000000,108=180000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,8=3,13=1,32=2,38=6,87=11,98=1/2,8;
 8/6=4,10=90,11=11,87=11/1;
 10/11=10000,13=10,49=112,72=3,87=11/2;
 6/7=2,8=2,9=2,10=2,28=1,87=11/1;
 7/8=1,25=21,87=11/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 26 09:33:30 2021, MaxMem= 16106127360 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     2
 TstMul:  ICh=     0
 TstMul:  Mul=     2
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 26 09:33:31 2021, MaxMem= 16106127360 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Thu Aug 26 09:33:31 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients=  7.2100000000D-04
     Exponent=  2.2070000000D+03 Coefficients=  5.5530000000D-03
     Exponent=  5.0280000000D+02 Coefficients=  2.8267000000D-02
     Exponent=  1.4260000000D+02 Coefficients=  1.0644400000D-01
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 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients= -1.6500000000D-04
     Exponent=  2.2070000000D+03 Coefficients= -1.3080000000D-03
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     Exponent=  3.8970000000D-01 Coefficients=  5.6877800000D-01
 S 1 1.00
     Exponent=  3.8970000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8630000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.2670000000D+01 Coefficients=  4.4878000000D-02
     Exponent=  4.9770000000D+00 Coefficients=  2.3571800000D-01
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 P 1 1.00
     Exponent=  3.4710000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5020000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6400000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6400000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  7.8010260000D-06
     Exponent=  8.1316650000D+05 Coefficients=  6.0656660000D-05
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 S 20 1.00
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 S 20 1.00
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 S 20 1.00
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     Exponent=  1.8505440000D+05 Coefficients= -8.0148080000D-06
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     Exponent=  4.3392890000D+02 Coefficients= -7.1719930000D-03
     Exponent=  1.9628690000D+02 Coefficients= -1.3566210000D-02
     Exponent=  9.1042800000D+01 Coefficients= -1.6439890000D-02
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     Exponent=  1.9932780000D+01 Coefficients=  6.6939640000D-02
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     Exponent=  4.2345160000D+00 Coefficients= -4.4229450000D-02
     Exponent=  1.9858140000D+00 Coefficients= -2.0311910000D-01
     Exponent=  8.6708300000D-01 Coefficients= -2.2300220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  2.5179750000D-01
     Exponent=  8.3657000000D-02 Coefficients=  5.6500910000D-01
     Exponent=  3.6267000000D-02 Coefficients=  3.2472430000D-01
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -3.5322290000D-07
     Exponent=  8.1316650000D+05 Coefficients= -2.7988120000D-06
     Exponent=  1.8505440000D+05 Coefficients= -1.4325170000D-05
     Exponent=  5.2414660000D+04 Coefficients= -6.2709460000D-05
     Exponent=  1.7098680000D+04 Coefficients= -2.1794900000D-04
     Exponent=  6.1719940000D+03 Coefficients= -7.4743160000D-04
     Exponent=  2.4064810000D+03 Coefficients= -2.0492710000D-03
     Exponent=  9.9725840000D+02 Coefficients= -5.8852030000D-03
     Exponent=  4.3392890000D+02 Coefficients= -1.2268850000D-02
     Exponent=  1.9628690000D+02 Coefficients= -2.6831470000D-02
     Exponent=  9.1042800000D+01 Coefficients= -2.4792610000D-02
     Exponent=  4.1384250000D+01 Coefficients= -5.9847460000D-03
     Exponent=  1.9932780000D+01 Coefficients=  1.5571240000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.4366830000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.3741030000D-03
     Exponent=  1.9858140000D+00 Coefficients= -7.4607110000D-01
     Exponent=  8.6708300000D-01 Coefficients=  1.2443670000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.5101100000D+00
     Exponent=  8.3657000000D-02 Coefficients= -3.4771220000D-01
     Exponent=  3.6267000000D-02 Coefficients= -9.7741690000D-01
 S 1 1.00
     Exponent=  3.6267000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5720000000D-02 Coefficients=  1.0000000000D+00
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  4.0000000000D-05
     Exponent=  5.3876790000D+03 Coefficients=  3.6100000000D-04
     Exponent=  1.7499450000D+03 Coefficients=  2.0830000000D-03
     Exponent=  6.6966530000D+02 Coefficients=  9.1970000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  3.2660000000D-02
     Exponent=  1.2960770000D+02 Coefficients=  9.3795000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  2.0827400000D-01
     Exponent=  3.0929640000D+01 Coefficients=  3.3399300000D-01
     Exponent=  1.5758270000D+01 Coefficients=  3.3249300000D-01
     Exponent=  8.0942110000D+00 Coefficients=  1.5472800000D-01
     Exponent=  4.0469210000D+00 Coefficients=  2.1271000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.6900000000D-03
     Exponent=  9.2529500000D-01 Coefficients= -1.5160000000D-03
     Exponent=  3.5299200000D-01 Coefficients= -2.4200000000D-04
     Exponent=  1.2730700000D-01 Coefficients=  2.3000000000D-05
     Exponent=  4.4356000000D-02 Coefficients= -9.0000000000D-06
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients= -1.5000000000D-05
     Exponent=  5.3876790000D+03 Coefficients= -1.3100000000D-04
     Exponent=  1.7499450000D+03 Coefficients= -7.5500000000D-04
     Exponent=  6.6966530000D+02 Coefficients= -3.3590000000D-03
     Exponent=  2.8419480000D+02 Coefficients= -1.2081000000D-02
     Exponent=  1.2960770000D+02 Coefficients= -3.5703000000D-02
     Exponent=  6.2254150000D+01 Coefficients= -8.2502000000D-02
     Exponent=  3.0929640000D+01 Coefficients= -1.3989000000D-01
     Exponent=  1.5758270000D+01 Coefficients= -1.4072900000D-01
     Exponent=  8.0942110000D+00 Coefficients=  3.8766000000D-02
     Exponent=  4.0469210000D+00 Coefficients=  3.4269500000D-01
     Exponent=  1.9678690000D+00 Coefficients=  4.5231000000D-01
     Exponent=  9.2529500000D-01 Coefficients=  2.7705400000D-01
     Exponent=  3.5299200000D-01 Coefficients=  4.3885000000D-02
     Exponent=  1.2730700000D-01 Coefficients= -2.8020000000D-03
     Exponent=  4.4356000000D-02 Coefficients=  1.1520000000D-03
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  3.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  2.5000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  1.4700000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  6.5600000000D-04
     Exponent=  2.8419480000D+02 Coefficients=  2.3510000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  7.0040000000D-03
     Exponent=  6.2254150000D+01 Coefficients=  1.6131000000D-02
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     Exponent=  8.0942110000D+00 Coefficients= -1.0115000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -8.1009000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.1040900000D-01
     Exponent=  9.2529500000D-01 Coefficients= -7.1732000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  1.8793000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.6462900000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.0700000000D-01
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  5.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  4.9000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  2.7800000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  1.2530000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  4.4470000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  1.3370000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  3.0469000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  5.3447000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  5.2639000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.6881000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -1.7944800000D-01
     Exponent=  1.9678690000D+00 Coefficients= -2.0958800000D-01
     Exponent=  9.2529500000D-01 Coefficients= -3.9633000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  5.0213000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.8111100000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.5666000000D-02
 P 1 1.00
     Exponent=  4.4356000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5450000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients=  2.7000000000D-03
     Exponent=  5.1886900000D+01 Coefficients=  2.0909000000D-02
     Exponent=  1.9341900000D+01 Coefficients=  8.4408000000D-02
     Exponent=  7.9757200000D+00 Coefficients=  2.1399900000D-01
     Exponent=  3.3982300000D+00 Coefficients=  3.3598000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  3.5730100000D-01
     Exponent=  5.4885800000D-01 Coefficients=  2.6457800000D-01
     Exponent=  1.9019900000D-01 Coefficients=  1.0397200000D-01
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients= -3.3630000000D-03
     Exponent=  5.1886900000D+01 Coefficients= -2.6079000000D-02
     Exponent=  1.9341900000D+01 Coefficients= -1.0823100000D-01
     Exponent=  7.9757200000D+00 Coefficients= -2.8221700000D-01
     Exponent=  3.3982300000D+00 Coefficients= -3.4719000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  2.6711000000D-02
     Exponent=  5.4885800000D-01 Coefficients=  4.9204700000D-01
     Exponent=  1.9019900000D-01 Coefficients=  4.3842200000D-01
 D 1 1.00
     Exponent=  1.9019900000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5910000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  5.0286000000D+00 Coefficients=  4.2428000000D-01
     Exponent=  1.2594000000D+00 Coefficients=  7.6302500000D-01
 F 1 1.00
     Exponent=  4.6172000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  166 primitive shells out of 1365 were deleted.
 There are  1171 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1093 symmetry adapted basis functions of A   symmetry.
  1093 basis functions,  2248 primitive gaussians,  1171 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.180000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.180000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 26 09:33:33 2021, MaxMem= 16106127360 cpu:              11.3 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=  1093 RedAO= T EigKep=  1.24D-06  NBF=  1093
 NBsUse=  1089 1.00D-06 EigRej=  8.73D-07 NBFU=  1089
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-11.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1163  1163  1163  1163  1163 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Thu Aug 26 09:33:38 2021, MaxMem= 16106127360 cpu:              38.9 elap:               5.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 26 09:33:40 2021, MaxMem= 16106127360 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7526 S= 0.5013
 Leave Link  401 at Thu Aug 26 09:33:51 2021, MaxMem= 16106127360 cpu:              83.5 elap:              10.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16103364801 LenY= 16101992389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3467.27377433528    
 DIIS: error= 3.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3467.27377433528     IErMin= 1 ErrMin= 3.95D-03
 ErrMax= 3.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-01 BMatP= 2.33D-01
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 Gap=     0.206 Goal=   None    Shift=    0.000
 GapD=    0.206 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.48D-02 MaxDP=4.46D+00              OVMax= 3.52D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.19D-02    CP:  1.37D+00
 E= -3467.30687211847     Delta-E=       -0.033097783184 Rises=F Damp=F
 DIIS: error= 2.66D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3467.30687211847     IErMin= 2 ErrMin= 2.66D-03
 ErrMax= 2.66D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-01 BMatP= 2.33D-01
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.66D-02
 Coeff-Com:  0.353D+00 0.647D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.344D+00 0.656D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 Gap=     0.204 Goal=   None    Shift=    0.000
 RMSDP=2.35D-03 MaxDP=5.64D-01 DE=-3.31D-02 OVMax= 2.14D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.18D-03    CP:  1.40D+00  1.07D+00
 E= -3467.31463810384     Delta-E=       -0.007765985369 Rises=F Damp=F
 DIIS: error= 1.97D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3467.31463810384     IErMin= 3 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-02 BMatP= 1.04D-01
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.736D-03 0.409D+00 0.590D+00
 Coeff-En:   0.000D+00 0.364D+00 0.636D+00
 Coeff:      0.721D-03 0.408D+00 0.591D+00
 Gap=     0.268 Goal=   None    Shift=    0.000
 Gap=     0.206 Goal=   None    Shift=    0.000
 RMSDP=1.47D-03 MaxDP=3.31D-01 DE=-7.77D-03 OVMax= 1.48D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.78D-04    CP:  1.43D+00  1.12D+00  1.06D+00
 E= -3467.32258009519     Delta-E=       -0.007941991358 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3467.32258009519     IErMin= 4 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-03 BMatP= 5.12D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.138D-01 0.235D+00 0.394D+00 0.385D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.136D-01 0.232D+00 0.389D+00 0.392D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.207 Goal=   None    Shift=    0.000
 RMSDP=2.47D-04 MaxDP=4.46D-02 DE=-7.94D-03 OVMax= 3.83D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.58D-04    CP:  1.44D+00  1.13D+00  1.12D+00  8.95D-01
 E= -3467.32338207834     Delta-E=       -0.000801983148 Rises=F Damp=F
 DIIS: error= 6.44D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3467.32338207834     IErMin= 5 ErrMin= 6.44D-04
 ErrMax= 6.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-04 BMatP= 7.03D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.44D-03
 Coeff-Com: -0.906D-02 0.773D-01 0.159D+00 0.256D+00 0.517D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.900D-02 0.768D-01 0.158D+00 0.254D+00 0.520D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 Gap=     0.204 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=2.36D-02 DE=-8.02D-04 OVMax= 6.43D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.17D-05    CP:  1.44D+00  1.13D+00  1.16D+00  9.59D-01  8.59D-01
 E= -3467.32344466912     Delta-E=       -0.000062590781 Rises=F Damp=F
 DIIS: error= 2.94D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3467.32344466912     IErMin= 6 ErrMin= 2.94D-04
 ErrMax= 2.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-04 BMatP= 6.98D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.94D-03
 Coeff-Com: -0.167D-02-0.173D-01-0.326D-02 0.558D-01 0.465D+00 0.502D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.264D+00 0.736D+00
 Coeff:     -0.167D-02-0.172D-01-0.325D-02 0.556D-01 0.464D+00 0.502D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=5.43D-05 MaxDP=1.03D-02 DE=-6.26D-05 OVMax= 1.41D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.36D-05    CP:  1.44D+00  1.13D+00  1.17D+00  9.82D-01  9.75D-01
                    CP:  9.61D-01
 E= -3467.32349005402     Delta-E=       -0.000045384901 Rises=F Damp=F
 DIIS: error= 9.71D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3467.32349005402     IErMin= 7 ErrMin= 9.71D-05
 ErrMax= 9.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-05 BMatP= 3.55D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.930D-03-0.258D-01-0.333D-01-0.350D-01 0.195D+00 0.162D+00
 Coeff-Com:  0.736D+00
 Coeff:      0.930D-03-0.258D-01-0.333D-01-0.350D-01 0.195D+00 0.162D+00
 Coeff:      0.736D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.24D-05 MaxDP=2.26D-03 DE=-4.54D-05 OVMax= 1.22D-03

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.67D-05    CP:  1.44D+00  1.13D+00  1.17D+00  9.89D-01  1.02D+00
                    CP:  9.57D-01  1.26D+00
 E= -3467.32349804701     Delta-E=       -0.000007992985 Rises=F Damp=F
 DIIS: error= 3.14D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3467.32349804701     IErMin= 8 ErrMin= 3.14D-05
 ErrMax= 3.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-06 BMatP= 3.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.655D-03-0.505D-02-0.950D-02-0.269D-01-0.136D-01-0.694D-01
 Coeff-Com:  0.198D+00 0.926D+00
 Coeff:      0.655D-03-0.505D-02-0.950D-02-0.269D-01-0.136D-01-0.694D-01
 Coeff:      0.198D+00 0.926D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=1.32D-03 DE=-7.99D-06 OVMax= 9.97D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.31D-06    CP:  1.44D+00  1.13D+00  1.17D+00  9.88D-01  1.04D+00
                    CP:  9.77D-01  1.42D+00  1.24D+00
 E= -3467.32349963593     Delta-E=       -0.000001588925 Rises=F Damp=F
 DIIS: error= 9.86D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3467.32349963593     IErMin= 9 ErrMin= 9.86D-06
 ErrMax= 9.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.93D-07 BMatP= 3.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-03 0.273D-02 0.212D-02-0.776D-02-0.437D-01-0.709D-01
 Coeff-Com: -0.645D-01 0.534D+00 0.648D+00
 Coeff:      0.142D-03 0.273D-02 0.212D-02-0.776D-02-0.437D-01-0.709D-01
 Coeff:     -0.645D-01 0.534D+00 0.648D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=5.53D-06 MaxDP=8.14D-04 DE=-1.59D-06 OVMax= 4.49D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.88D-06    CP:  1.44D+00  1.13D+00  1.17D+00  9.85D-01  1.04D+00
                    CP:  9.76D-01  1.44D+00  1.39D+00  1.01D+00
 E= -3467.32350000131     Delta-E=       -0.000000365375 Rises=F Damp=F
 DIIS: error= 4.86D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3467.32350000131     IErMin=10 ErrMin= 4.86D-06
 ErrMax= 4.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-07 BMatP= 9.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.419D-04 0.216D-02 0.261D-02-0.328D-04-0.163D-01-0.263D-01
 Coeff-Com: -0.699D-01 0.111D+00 0.328D+00 0.669D+00
 Coeff:     -0.419D-04 0.216D-02 0.261D-02-0.328D-04-0.163D-01-0.263D-01
 Coeff:     -0.699D-01 0.111D+00 0.328D+00 0.669D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.10D-06 MaxDP=3.20D-04 DE=-3.65D-07 OVMax= 1.19D-04

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.47D-06    CP:  1.44D+00  1.13D+00  1.17D+00  9.84D-01  1.04D+00
                    CP:  9.71D-01  1.44D+00  1.41D+00  1.07D+00  1.16D+00
 E= -3467.32350004891     Delta-E=       -0.000000047597 Rises=F Damp=F
 DIIS: error= 2.49D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3467.32350004891     IErMin=11 ErrMin= 2.49D-06
 ErrMax= 2.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-08 BMatP= 1.97D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.485D-04 0.832D-03 0.120D-02 0.990D-03-0.138D-02-0.545D-02
 Coeff-Com: -0.298D-01-0.246D-01 0.847D-01 0.365D+00 0.609D+00
 Coeff:     -0.485D-04 0.832D-03 0.120D-02 0.990D-03-0.138D-02-0.545D-02
 Coeff:     -0.298D-01-0.246D-01 0.847D-01 0.365D+00 0.609D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=9.31D-07 MaxDP=9.11D-05 DE=-4.76D-08 OVMax= 6.98D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.44D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.68D-01  1.44D+00  1.42D+00  1.11D+00  1.23D+00
                    CP:  1.18D+00
 E= -3467.32350005922     Delta-E=       -0.000000010312 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3467.32350005922     IErMin=12 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-09 BMatP= 4.05D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04-0.677D-04 0.261D-05 0.345D-03 0.274D-02 0.227D-02
 Coeff-Com:  0.200D-02-0.287D-01-0.278D-01 0.612D-02 0.219D+00 0.824D+00
 Coeff:     -0.123D-04-0.677D-04 0.261D-05 0.345D-03 0.274D-02 0.227D-02
 Coeff:      0.200D-02-0.287D-01-0.278D-01 0.612D-02 0.219D+00 0.824D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=6.51D-07 MaxDP=9.10D-05 DE=-1.03D-08 OVMax= 5.07D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.66D-01  1.44D+00  1.43D+00  1.12D+00  1.28D+00
                    CP:  1.26D+00  1.33D+00
 E= -3467.32350006152     Delta-E=       -0.000000002297 Rises=F Damp=F
 DIIS: error= 7.85D-07 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3467.32350006152     IErMin=13 ErrMin= 7.85D-07
 ErrMax= 7.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-10 BMatP= 3.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.623D-05-0.217D-03-0.273D-03-0.564D-04 0.139D-02 0.228D-02
 Coeff-Com:  0.712D-02-0.701D-02-0.283D-01-0.731D-01-0.292D-01 0.325D+00
 Coeff-Com:  0.802D+00
 Coeff:      0.623D-05-0.217D-03-0.273D-03-0.564D-04 0.139D-02 0.228D-02
 Coeff:      0.712D-02-0.701D-02-0.283D-01-0.731D-01-0.292D-01 0.325D+00
 Coeff:      0.802D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=7.50D-05 DE=-2.30D-09 OVMax= 3.62D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.90D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.66D-01  1.44D+00  1.42D+00  1.12D+00  1.29D+00
                    CP:  1.32D+00  1.51D+00  1.50D+00
 E= -3467.32350006307     Delta-E=       -0.000000001550 Rises=F Damp=F
 DIIS: error= 4.74D-07 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -3467.32350006307     IErMin=14 ErrMin= 4.74D-07
 ErrMax= 4.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-10 BMatP= 7.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.541D-05-0.158D-04-0.487D-04-0.115D-03-0.725D-03-0.237D-03
 Coeff-Com:  0.697D-03 0.833D-02 0.446D-02-0.168D-01-0.712D-01-0.234D+00
 Coeff-Com:  0.150D+00 0.116D+01
 Coeff:      0.541D-05-0.158D-04-0.487D-04-0.115D-03-0.725D-03-0.237D-03
 Coeff:      0.697D-03 0.833D-02 0.446D-02-0.168D-01-0.712D-01-0.234D+00
 Coeff:      0.150D+00 0.116D+01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.52D-07 MaxDP=7.88D-05 DE=-1.55D-09 OVMax= 3.61D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.32D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.66D-01  1.44D+00  1.43D+00  1.12D+00  1.29D+00
                    CP:  1.33D+00  1.67D+00  2.39D+00  2.78D+00
 E= -3467.32350006552     Delta-E=       -0.000000002450 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -3467.32350006552     IErMin=15 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.56D-11 BMatP= 2.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-06 0.507D-04 0.531D-04-0.339D-04-0.635D-03-0.760D-03
 Coeff-Com: -0.153D-02 0.471D-02 0.873D-02 0.113D-01-0.167D-01-0.171D+00
 Coeff-Com: -0.143D+00 0.437D+00 0.872D+00
 Coeff:      0.174D-06 0.507D-04 0.531D-04-0.339D-04-0.635D-03-0.760D-03
 Coeff:     -0.153D-02 0.471D-02 0.873D-02 0.113D-01-0.167D-01-0.171D+00
 Coeff:     -0.143D+00 0.437D+00 0.872D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=1.09D-04 DE=-2.45D-09 OVMax= 1.72D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  7.19D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.67D-01  1.44D+00  1.43D+00  1.12D+00  1.29D+00
                    CP:  1.34D+00  1.78D+00  3.00D+00  3.00D+00  2.52D+00
 E= -3467.32350006667     Delta-E=       -0.000000001151 Rises=F Damp=F
 DIIS: error= 1.06D-07 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3467.32350006667     IErMin=16 ErrMin= 1.06D-07
 ErrMax= 1.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-11 BMatP= 6.56D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.838D-06 0.211D-04 0.275D-04 0.800D-05-0.115D-03-0.225D-03
 Coeff-Com: -0.676D-03 0.395D-03 0.254D-02 0.662D-02 0.656D-02-0.247D-01
 Coeff-Com: -0.859D-01-0.333D-01 0.322D+00 0.806D+00
 Coeff:     -0.838D-06 0.211D-04 0.275D-04 0.800D-05-0.115D-03-0.225D-03
 Coeff:     -0.676D-03 0.395D-03 0.254D-02 0.662D-02 0.656D-02-0.247D-01
 Coeff:     -0.859D-01-0.333D-01 0.322D+00 0.806D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.09D-06 MaxDP=1.06D-04 DE=-1.15D-09 OVMax= 6.70D-06

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  4.93D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.69D-01  1.44D+00  1.42D+00  1.13D+00  1.29D+00
                    CP:  1.36D+00  1.80D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.18D+00
 E= -3467.32350006763     Delta-E=       -0.000000000960 Rises=F Damp=F
 DIIS: error= 9.10D-08 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=17 EnMin= -3467.32350006763     IErMin=17 ErrMin= 9.10D-08
 ErrMax= 9.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-11 BMatP= 2.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.722D-07-0.825D-05-0.817D-05 0.114D-04 0.115D-03 0.160D-03
 Coeff-Com:  0.241D-03-0.886D-03-0.143D-02-0.188D-02 0.522D-02 0.341D-01
 Coeff-Com:  0.161D-01-0.103D+00-0.171D+00 0.289D+00 0.933D+00
 Coeff:     -0.722D-07-0.825D-05-0.817D-05 0.114D-04 0.115D-03 0.160D-03
 Coeff:      0.241D-03-0.886D-03-0.143D-02-0.188D-02 0.522D-02 0.341D-01
 Coeff:      0.161D-01-0.103D+00-0.171D+00 0.289D+00 0.933D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.29D-06 MaxDP=1.32D-04 DE=-9.60D-10 OVMax= 3.68D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  4.69D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.83D-01  1.04D+00
                    CP:  9.69D-01  1.45D+00  1.42D+00  1.13D+00  1.27D+00
                    CP:  1.42D+00  1.72D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.72D+00
 E= -3467.32350007004     Delta-E=       -0.000000002414 Rises=F Damp=F
 DIIS: error= 1.11D-07 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=18 EnMin= -3467.32350007004     IErMin=17 ErrMin= 9.10D-08
 ErrMax= 1.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-11 BMatP= 1.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.218D-06-0.848D-05-0.104D-04 0.215D-05 0.627D-04 0.118D-03
 Coeff-Com:  0.263D-03-0.371D-03-0.108D-02-0.263D-02 0.165D-03 0.168D-01
 Coeff-Com:  0.276D-01-0.243D-01-0.156D+00 0.145D-01 0.614D+00 0.511D+00
 Coeff:      0.218D-06-0.848D-05-0.104D-04 0.215D-05 0.627D-04 0.118D-03
 Coeff:      0.263D-03-0.371D-03-0.108D-02-0.263D-02 0.165D-03 0.168D-01
 Coeff:      0.276D-01-0.243D-01-0.156D+00 0.145D-01 0.614D+00 0.511D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.72D-07 MaxDP=9.03D-05 DE=-2.41D-09 OVMax= 7.01D-07

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  4.03D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.84D-01  1.04D+00
                    CP:  9.69D-01  1.45D+00  1.42D+00  1.13D+00  1.26D+00
                    CP:  1.48D+00  1.69D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  2.18D+00
 E= -3467.32350007193     Delta-E=       -0.000000001888 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=19 EnMin= -3467.32350007193     IErMin=17 ErrMin= 9.10D-08
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-11 BMatP= 1.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-06-0.786D-05-0.925D-05 0.537D-05 0.716D-04 0.122D-03
 Coeff-Com:  0.233D-03-0.555D-03-0.112D-02-0.220D-02 0.170D-02 0.214D-01
 Coeff-Com:  0.248D-01-0.479D-01-0.173D+00-0.146D-01 0.709D+00 0.212D+01
 Coeff-Com: -0.164D+01
 Coeff:      0.109D-06-0.786D-05-0.925D-05 0.537D-05 0.716D-04 0.122D-03
 Coeff:      0.233D-03-0.555D-03-0.112D-02-0.220D-02 0.170D-02 0.214D-01
 Coeff:      0.248D-01-0.479D-01-0.173D+00-0.146D-01 0.709D+00 0.212D+01
 Coeff:     -0.164D+01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.70D-06 MaxDP=1.88D-04 DE=-1.89D-09 OVMax= 6.29D-07

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  7.27D-07    CP:  1.44D+00  1.13D+00  1.17D+00  9.84D-01  1.04D+00
                    CP:  9.70D-01  1.45D+00  1.42D+00  1.13D+00  1.28D+00
                    CP:  1.44D+00  1.69D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.50D+00  2.09D+00  6.20D-01 -8.11D-01
 E= -3467.32350006794     Delta-E=        0.000000003989 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=19 EnMin= -3467.32350007193     IErMin=17 ErrMin= 9.10D-08
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 1.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.741D-07-0.388D-05-0.484D-05 0.463D-06 0.261D-04 0.484D-04
 Coeff-Com:  0.122D-03-0.195D-03-0.457D-03-0.128D-02-0.338D-03 0.608D-02
 Coeff-Com:  0.164D-01-0.752D-02-0.803D-01-0.118D+00 0.164D+00 0.216D+01
 Coeff-Com: -0.253D+01 0.139D+01
 Coeff:      0.741D-07-0.388D-05-0.484D-05 0.463D-06 0.261D-04 0.484D-04
 Coeff:      0.122D-03-0.195D-03-0.457D-03-0.128D-02-0.338D-03 0.608D-02
 Coeff:      0.164D-01-0.752D-02-0.803D-01-0.118D+00 0.164D+00 0.216D+01
 Coeff:     -0.253D+01 0.139D+01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.90D-06 MaxDP=2.04D-04 DE= 3.99D-09 OVMax= 9.09D-07

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3467.32350007497     Delta-E=       -0.000000007025 Rises=F Damp=F
 DIIS: error= 2.05D-06 at cycle  21 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3467.32350007497     IErMin=16 ErrMin= 9.10D-08
 ErrMax= 2.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.359D-05-0.428D-05 0.134D-05 0.276D-04 0.487D-04 0.113D-03
 Coeff-Com: -0.219D-03-0.452D-03-0.118D-02-0.960D-04 0.653D-02 0.157D-01
 Coeff-Com: -0.100D-01-0.797D-01-0.111D+00 0.169D+00 0.214D+01-0.251D+01
 Coeff-Com:  0.137D+01 0.277D-02
 Coeff:     -0.359D-05-0.428D-05 0.134D-05 0.276D-04 0.487D-04 0.113D-03
 Coeff:     -0.219D-03-0.452D-03-0.118D-02-0.960D-04 0.653D-02 0.157D-01
 Coeff:     -0.100D-01-0.797D-01-0.111D+00 0.169D+00 0.214D+01-0.251D+01
 Coeff:      0.137D+01 0.277D-02
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=1.45D-05 DE=-7.02D-09 OVMax= 1.17D-08

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.00D+00
 E= -3467.32350007680     Delta-E=       -0.000000001837 Rises=F Damp=F
 DIIS: error= 2.05D-06 at cycle  22 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3467.32350007680     IErMin=15 ErrMin= 9.10D-08
 ErrMax= 2.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.989D-07 0.208D-05 0.105D-05 0.118D-04 0.190D-04-0.753D-04
 Coeff-Com: -0.724D-04-0.469D-03-0.768D-04 0.244D-02 0.110D-01-0.290D-02
 Coeff-Com: -0.649D-01-0.112D+00 0.150D+00 0.214D+01-0.251D+01 0.138D+01
 Coeff-Com: -0.773D-01 0.803D-01
 Coeff:      0.989D-07 0.208D-05 0.105D-05 0.118D-04 0.190D-04-0.753D-04
 Coeff:     -0.724D-04-0.469D-03-0.768D-04 0.244D-02 0.110D-01-0.290D-02
 Coeff:     -0.649D-01-0.112D+00 0.150D+00 0.214D+01-0.251D+01 0.138D+01
 Coeff:     -0.773D-01 0.803D-01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=3.05D-08 MaxDP=4.22D-06 DE=-1.84D-09 OVMax= 1.99D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  2.95D-08    CP:  1.00D+00  1.07D+00
 E= -3467.32350007576     Delta-E=        0.000000001040 Rises=F Damp=F
 DIIS: error= 2.04D-06 at cycle  23 NSaved=  20.
 NSaved=20 IEnMin=19 EnMin= -3467.32350007680     IErMin=14 ErrMin= 9.10D-08
 ErrMax= 2.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-05-0.107D-05 0.848D-05 0.177D-04-0.486D-04-0.453D-04
 Coeff-Com: -0.451D-03-0.221D-03 0.156D-02 0.994D-02-0.104D-02-0.604D-01
 Coeff-Com: -0.112D+00 0.140D+00 0.197D+01-0.224D+01 0.128D+01 0.480D-01
 Coeff-Com: -0.598D+00 0.552D+00
 Coeff:      0.144D-05-0.107D-05 0.848D-05 0.177D-04-0.486D-04-0.453D-04
 Coeff:     -0.451D-03-0.221D-03 0.156D-02 0.994D-02-0.104D-02-0.604D-01
 Coeff:     -0.112D+00 0.140D+00 0.197D+01-0.224D+01 0.128D+01 0.480D-01
 Coeff:     -0.598D+00 0.552D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=3.89D-07 MaxDP=3.80D-05 DE= 1.04D-09 OVMax= 1.07D-07

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  3.44D-07    CP:  1.00D+00  1.29D+00 -3.00D+00
 E= -3467.32350007600     Delta-E=       -0.000000000240 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  24 NSaved=  20.
 NSaved=20 IEnMin=18 EnMin= -3467.32350007680     IErMin=13 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.447D-05 0.309D-05 0.232D-04 0.733D-05-0.366D-05-0.462D-03
 Coeff-Com: -0.405D-03 0.749D-03 0.947D-02 0.169D-02-0.572D-01-0.117D+00
 Coeff-Com:  0.130D+00 0.197D+01-0.221D+01 0.128D+01 0.925D-01-0.125D+01
 Coeff-Com:  0.103D+01 0.124D+00
 Coeff:     -0.447D-05 0.309D-05 0.232D-04 0.733D-05-0.366D-05-0.462D-03
 Coeff:     -0.405D-03 0.749D-03 0.947D-02 0.169D-02-0.572D-01-0.117D+00
 Coeff:      0.130D+00 0.197D+01-0.221D+01 0.128D+01 0.925D-01-0.125D+01
 Coeff:      0.103D+01 0.124D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.32D-08 MaxDP=6.04D-06 DE=-2.40D-10 OVMax= 2.42D-08

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  4.06D-08    CP:  1.00D+00  1.24D+00 -3.00D+00  1.17D+00
 E= -3467.32350007603     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  25 NSaved=  20.
 NSaved=20 IEnMin=17 EnMin= -3467.32350007680     IErMin=12 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-05 0.271D-04-0.213D-04-0.195D-04-0.375D-03-0.453D-04
 Coeff-Com:  0.165D-02 0.874D-02-0.180D-02-0.566D-01-0.112D+00 0.131D+00
 Coeff-Com:  0.194D+01-0.218D+01 0.127D+01 0.176D+00-0.124D+01 0.933D+00
 Coeff-Com:  0.352D+00-0.223D+00
 Coeff:      0.482D-05 0.271D-04-0.213D-04-0.195D-04-0.375D-03-0.453D-04
 Coeff:      0.165D-02 0.874D-02-0.180D-02-0.566D-01-0.112D+00 0.131D+00
 Coeff:      0.194D+01-0.218D+01 0.127D+01 0.176D+00-0.124D+01 0.933D+00
 Coeff:      0.352D+00-0.223D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.29D-08 MaxDP=5.88D-06 DE=-3.27D-11 OVMax= 2.80D-08

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  6.95D-08    CP:  1.00D+00  1.20D+00 -3.00D+00  1.20D+00  9.57D-01
 E= -3467.32350007606     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  26 NSaved=  20.
 NSaved=20 IEnMin=16 EnMin= -3467.32350007680     IErMin=11 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.212D-04-0.167D-04 0.624D-05-0.269D-03 0.177D-03 0.192D-02
 Coeff-Com:  0.782D-02-0.370D-02-0.540D-01-0.108D+00 0.129D+00 0.194D+01
 Coeff-Com: -0.219D+01 0.127D+01 0.181D+00-0.119D+01 0.896D+00 0.335D+00
 Coeff-Com: -0.185D+00-0.313D-01
 Coeff:      0.212D-04-0.167D-04 0.624D-05-0.269D-03 0.177D-03 0.192D-02
 Coeff:      0.782D-02-0.370D-02-0.540D-01-0.108D+00 0.129D+00 0.194D+01
 Coeff:     -0.219D+01 0.127D+01 0.181D+00-0.119D+01 0.896D+00 0.335D+00
 Coeff:     -0.185D+00-0.313D-01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.37D-08 MaxDP=1.44D-06 DE=-2.18D-11 OVMax= 4.99D-09

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  9.47D-09    CP:  1.00D+00  1.19D+00 -3.00D+00  1.18D+00  8.57D-01
                    CP:  9.49D-01
 E= -3467.32350007584     Delta-E=        0.000000000215 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  27 NSaved=  20.
 NSaved=20 IEnMin=15 EnMin= -3467.32350007680     IErMin=10 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-04 0.729D-04-0.672D-04 0.299D-03 0.125D-02 0.678D-02
 Coeff-Com: -0.316D-02-0.522D-01-0.106D+00 0.127D+00 0.192D+01-0.215D+01
 Coeff-Com:  0.126D+01 0.198D+00-0.124D+01 0.900D+00 0.418D+00-0.239D+00
 Coeff-Com: -0.338D+00 0.303D+00
 Coeff:     -0.183D-04 0.729D-04-0.672D-04 0.299D-03 0.125D-02 0.678D-02
 Coeff:     -0.316D-02-0.522D-01-0.106D+00 0.127D+00 0.192D+01-0.215D+01
 Coeff:      0.126D+01 0.198D+00-0.124D+01 0.900D+00 0.418D+00-0.239D+00
 Coeff:     -0.338D+00 0.303D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.32D-08 MaxDP=7.65D-06 DE= 2.15D-10 OVMax= 1.88D-08

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  6.48D-08    CP:  1.00D+00  1.05D+00 -3.00D+00  1.23D+00  1.10D+00
                    CP:  1.22D+00  8.77D-01
 E= -3467.32350007599     Delta-E=       -0.000000000149 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  28 NSaved=  20.
 NSaved=20 IEnMin=14 EnMin= -3467.32350007680     IErMin= 9 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.793D-04-0.103D-03 0.175D-03 0.980D-03 0.706D-02-0.192D-02
 Coeff-Com: -0.523D-01-0.110D+00 0.125D+00 0.192D+01-0.215D+01 0.126D+01
 Coeff-Com:  0.181D+00-0.122D+01 0.899D+00 0.470D+00-0.334D+00-0.362D+00
 Coeff-Com:  0.260D+00 0.111D+00
 Coeff:      0.793D-04-0.103D-03 0.175D-03 0.980D-03 0.706D-02-0.192D-02
 Coeff:     -0.523D-01-0.110D+00 0.125D+00 0.192D+01-0.215D+01 0.126D+01
 Coeff:      0.181D+00-0.122D+01 0.899D+00 0.470D+00-0.334D+00-0.362D+00
 Coeff:      0.260D+00 0.111D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=4.12D-06 DE=-1.49D-10 OVMax= 1.19D-08

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.00D+00  1.06D+00 -3.00D+00  1.25D+00  1.25D+00
                    CP:  1.31D+00 -2.23D-01  1.16D+00
 E= -3467.32350007573     Delta-E=        0.000000000258 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  29 NSaved=  20.
 NSaved=20 IEnMin=13 EnMin= -3467.32350007680     IErMin= 8 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.202D-03 0.312D-03 0.200D-02 0.731D-02-0.453D-02-0.535D-01
 Coeff-Com: -0.108D+00 0.126D+00 0.191D+01-0.214D+01 0.125D+01 0.180D+00
 Coeff-Com: -0.124D+01 0.909D+00 0.453D+00-0.302D+00-0.367D+00 0.245D+00
 Coeff-Com:  0.207D+00-0.858D-01
 Coeff:     -0.202D-03 0.312D-03 0.200D-02 0.731D-02-0.453D-02-0.535D-01
 Coeff:     -0.108D+00 0.126D+00 0.191D+01-0.214D+01 0.125D+01 0.180D+00
 Coeff:     -0.124D+01 0.909D+00 0.453D+00-0.302D+00-0.367D+00 0.245D+00
 Coeff:      0.207D+00-0.858D-01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.73D-08 MaxDP=3.88D-06 DE= 2.58D-10 OVMax= 2.16D-08

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  2.42D-08    CP:  1.00D+00  1.05D+00 -3.00D+00  1.28D+00  1.42D+00
                    CP:  1.31D+00 -3.67D-01  1.21D+00  9.32D-01
 E= -3467.32350007567     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  30 NSaved=  20.
 NSaved=20 IEnMin=12 EnMin= -3467.32350007680     IErMin= 7 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-03 0.948D-03 0.689D-02-0.214D-02-0.539D-01-0.109D+00
 Coeff-Com:  0.129D+00 0.191D+01-0.213D+01 0.125D+01 0.193D+00-0.126D+01
 Coeff-Com:  0.915D+00 0.431D+00-0.281D+00-0.289D+00 0.235D+00 0.162D+00
 Coeff-Com:  0.122D-01-0.112D+00
 Coeff:      0.287D-03 0.948D-03 0.689D-02-0.214D-02-0.539D-01-0.109D+00
 Coeff:      0.129D+00 0.191D+01-0.213D+01 0.125D+01 0.193D+00-0.126D+01
 Coeff:      0.915D+00 0.431D+00-0.281D+00-0.289D+00 0.235D+00 0.162D+00
 Coeff:      0.122D-01-0.112D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=2.04D-06 DE= 5.82D-11 OVMax= 1.95D-08

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  2.17D-08    CP:  1.00D+00  1.03D+00 -3.00D+00  1.29D+00  1.49D+00
                    CP:  1.38D+00 -7.30D-01  1.20D+00  8.00D-01  1.01D+00
 E= -3467.32350007669     Delta-E=       -0.000000001013 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  31 NSaved=  20.
 NSaved=20 IEnMin=11 EnMin= -3467.32350007680     IErMin= 6 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.350D-03 0.681D-02-0.110D-03-0.509D-01-0.117D+00 0.116D+00
 Coeff-Com:  0.192D+01-0.213D+01 0.125D+01 0.204D+00-0.139D+01 0.101D+01
 Coeff-Com:  0.470D+00-0.319D+00-0.283D+00 0.280D+00 0.154D-01 0.160D+00
 Coeff-Com:  0.265D-01-0.165D+00
 Coeff:      0.350D-03 0.681D-02-0.110D-03-0.509D-01-0.117D+00 0.116D+00
 Coeff:      0.192D+01-0.213D+01 0.125D+01 0.204D+00-0.139D+01 0.101D+01
 Coeff:      0.470D+00-0.319D+00-0.283D+00 0.280D+00 0.154D-01 0.160D+00
 Coeff:      0.265D-01-0.165D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=5.00D-08 MaxDP=6.23D-06 DE=-1.01D-09 OVMax= 5.41D-08

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  4.36D-08    CP:  1.00D+00  9.97D-01 -3.00D+00  1.33D+00  1.78D+00
                    CP:  1.49D+00 -1.68D+00  1.36D+00  7.03D-01  8.27D-01
                    CP:  1.07D+00
 E= -3467.32350007589     Delta-E=        0.000000000800 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  32 NSaved=  20.
 NSaved=20 IEnMin=10 EnMin= -3467.32350007680     IErMin= 5 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.680D-02 0.124D-02-0.510D-01-0.120D+00 0.115D+00 0.192D+01
 Coeff-Com: -0.211D+01 0.124D+01 0.212D+00-0.148D+01 0.107D+01 0.483D+00
 Coeff-Com: -0.299D+00-0.428D+00 0.495D+00-0.954D-01 0.287D+00-0.656D-01
 Coeff-Com: -0.416D+00 0.238D+00
 Coeff:      0.680D-02 0.124D-02-0.510D-01-0.120D+00 0.115D+00 0.192D+01
 Coeff:     -0.211D+01 0.124D+01 0.212D+00-0.148D+01 0.107D+01 0.483D+00
 Coeff:     -0.299D+00-0.428D+00 0.495D+00-0.954D-01 0.287D+00-0.656D-01
 Coeff:     -0.416D+00 0.238D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=5.82D-08 MaxDP=6.14D-06 DE= 8.00D-10 OVMax= 9.21D-09

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  5.45D-08    CP:  1.00D+00  9.81D-01 -3.00D+00  1.38D+00  1.92D+00
                    CP:  1.48D+00 -2.34D+00  1.39D+00  8.02D-01  8.45D-01
                    CP:  1.07D+00  1.12D+00
 E= -3467.32350007535     Delta-E=        0.000000000540 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  33 NSaved=  20.
 NSaved=20 IEnMin= 9 EnMin= -3467.32350007680     IErMin= 4 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-03-0.415D-01-0.942D-01 0.130D+00 0.187D+01-0.209D+01
 Coeff-Com:  0.123D+01 0.211D+00-0.149D+01 0.108D+01 0.473D+00-0.310D+00
 Coeff-Com: -0.280D+00 0.352D+00-0.143D+00 0.326D+00 0.902D-01-0.548D+00
 Coeff-Com:  0.484D+00-0.240D+00
 Coeff:      0.110D-03-0.415D-01-0.942D-01 0.130D+00 0.187D+01-0.209D+01
 Coeff:      0.123D+01 0.211D+00-0.149D+01 0.108D+01 0.473D+00-0.310D+00
 Coeff:     -0.280D+00 0.352D+00-0.143D+00 0.326D+00 0.902D-01-0.548D+00
 Coeff:      0.484D+00-0.240D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=7.94D-08 MaxDP=1.03D-05 DE= 5.40D-10 OVMax= 1.04D-07

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  6.10D-08    CP:  1.00D+00  1.02D+00 -3.00D+00  1.33D+00  1.24D+00
                    CP:  1.28D+00  1.11D+00  1.31D+00  6.14D-01  5.58D-01
                    CP:  8.51D-01  9.74D-01  8.08D-01
 E= -3467.32350007517     Delta-E=        0.000000000178 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  34 NSaved=  20.
 NSaved=20 IEnMin= 8 EnMin= -3467.32350007680     IErMin= 3 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-01-0.986D-01 0.117D+00 0.186D+01-0.207D+01 0.123D+01
 Coeff-Com:  0.222D+00-0.164D+01 0.119D+01 0.426D+00-0.275D+00 0.321D+00
 Coeff-Com: -0.219D+00-0.238D+00 0.424D+00 0.960D-01-0.719D+00 0.670D+00
 Coeff-Com: -0.499D+00 0.244D+00
 Coeff:     -0.385D-01-0.986D-01 0.117D+00 0.186D+01-0.207D+01 0.123D+01
 Coeff:      0.222D+00-0.164D+01 0.119D+01 0.426D+00-0.275D+00 0.321D+00
 Coeff:     -0.219D+00-0.238D+00 0.424D+00 0.960D-01-0.719D+00 0.670D+00
 Coeff:     -0.499D+00 0.244D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=6.41D-08 MaxDP=7.00D-06 DE= 1.78D-10 OVMax= 5.57D-08

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  5.07D-08    CP:  1.00D+00  9.58D-01 -3.00D+00  1.38D+00  1.72D+00
                    CP:  1.45D+00 -2.55D-01  1.49D+00  7.30D-01  4.88D-01
                    CP:  7.80D-01  1.23D+00  8.94D-01  1.14D+00
 E= -3467.32350007607     Delta-E=       -0.000000000897 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  35 NSaved=  20.
 NSaved=20 IEnMin= 7 EnMin= -3467.32350007680     IErMin= 2 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.965D-01 0.789D-01 0.184D+01-0.207D+01 0.124D+01 0.219D+00
 Coeff-Com: -0.165D+01 0.120D+01 0.402D+00-0.262D+00 0.539D+00-0.437D+00
 Coeff-Com: -0.223D+00 0.389D+00 0.103D+00-0.705D+00 0.699D+00-0.566D+00
 Coeff-Com:  0.335D+00-0.390D-01
 Coeff:     -0.965D-01 0.789D-01 0.184D+01-0.207D+01 0.124D+01 0.219D+00
 Coeff:     -0.165D+01 0.120D+01 0.402D+00-0.262D+00 0.539D+00-0.437D+00
 Coeff:     -0.223D+00 0.389D+00 0.103D+00-0.705D+00 0.699D+00-0.566D+00
 Coeff:      0.335D+00-0.390D-01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=1.16D-05 DE=-8.97D-10 OVMax= 6.68D-07

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  5.08D-08    CP:  1.00D+00  9.38D-01 -3.00D+00  1.24D+00  7.43D-01
                    CP:  1.13D+00  3.00D+00  1.18D+00  4.35D-01 -2.71D-01
                    CP:  2.87D-01  7.89D-01  6.57D-01  1.53D+00  9.53D-01
 E= -3467.32350007569     Delta-E=        0.000000000377 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  36 NSaved=  20.
 NSaved=20 IEnMin= 6 EnMin= -3467.32350007680     IErMin= 1 ErrMin= 9.10D-08
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.622D-01 0.170D+01-0.198D+01 0.122D+01 0.210D+00-0.164D+01
 Coeff-Com:  0.119D+01 0.319D+00-0.207D+00 0.682D+00-0.576D+00-0.235D+00
 Coeff-Com:  0.308D+00 0.114D+00-0.611D+00 0.653D+00-0.366D+00 0.183D+00
 Coeff-Com: -0.263D+00 0.243D+00
 Coeff:      0.622D-01 0.170D+01-0.198D+01 0.122D+01 0.210D+00-0.164D+01
 Coeff:      0.119D+01 0.319D+00-0.207D+00 0.682D+00-0.576D+00-0.235D+00
 Coeff:      0.308D+00 0.114D+00-0.611D+00 0.653D+00-0.366D+00 0.183D+00
 Coeff:     -0.263D+00 0.243D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.48D-07 MaxDP=1.76D-05 DE= 3.77D-10 OVMax= 7.34D-07

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  8.36D-08    CP:  1.00D+00  8.30D-01 -1.46D+00  1.13D+00 -6.41D-01
                    CP:  7.89D-01  3.00D+00  1.13D+00  2.74D-01 -5.64D-01
                    CP:  6.30D-01  4.96D-01  5.30D-01  2.13D+00  5.53D-01
                    CP:  1.74D+00
 E= -3467.32350007497     Delta-E=        0.000000000715 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle  37 NSaved=  20.
 NSaved=20 IEnMin= 5 EnMin= -3467.32350007680     IErMin= 1 ErrMin= 1.11D-07
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-09 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D+01-0.191D+01 0.124D+01 0.236D+00-0.152D+01 0.970D+00
 Coeff-Com:  0.127D-01 0.633D-01 0.789D+00-0.634D+00-0.236D+00 0.179D+00
 Coeff-Com:  0.227D+00-0.593D+00 0.651D+00-0.272D+00 0.250D-01-0.302D+00
 Coeff-Com:  0.150D+00 0.251D+00
 Coeff:      0.168D+01-0.191D+01 0.124D+01 0.236D+00-0.152D+01 0.970D+00
 Coeff:      0.127D-01 0.633D-01 0.789D+00-0.634D+00-0.236D+00 0.179D+00
 Coeff:      0.227D+00-0.593D+00 0.651D+00-0.272D+00 0.250D-01-0.302D+00
 Coeff:      0.150D+00 0.251D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=1.86D-05 DE= 7.15D-10 OVMax= 6.51D-08

 Cycle  38  Pass 1  IDiag  1:
 RMSU=  8.82D-08    CP:  1.00D+00  5.28D-01 -3.00D+00  1.35D+00  7.68D-01
                    CP:  1.24D+00  3.00D+00  1.51D+00  1.04D-01 -2.29D-01
                    CP:  9.88D-01  4.60D-01  4.96D-01  1.90D+00  1.61D+00
                    CP:  1.82D+00  1.41D+00
 E= -3467.32350007420     Delta-E=        0.000000000777 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle  38 NSaved=  20.
 NSaved=20 IEnMin= 4 EnMin= -3467.32350007680     IErMin= 1 ErrMin= 1.11D-07
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-09 BMatP= 1.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D+01-0.450D+00 0.303D+00-0.412D+01 0.297D+01 0.335D+00
 Coeff-Com:  0.831D-01 0.121D+01-0.790D+00-0.514D+00 0.365D+00 0.505D+00
 Coeff-Com: -0.132D+01 0.132D+01-0.292D+00-0.126D+00-0.856D+00 0.209D+00
 Coeff-Com:  0.368D+00 0.363D+00
 Coeff:      0.145D+01-0.450D+00 0.303D+00-0.412D+01 0.297D+01 0.335D+00
 Coeff:      0.831D-01 0.121D+01-0.790D+00-0.514D+00 0.365D+00 0.505D+00
 Coeff:     -0.132D+01 0.132D+01-0.292D+00-0.126D+00-0.856D+00 0.209D+00
 Coeff:      0.368D+00 0.363D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=2.93D-04 DE= 7.77D-10 OVMax= 6.69D-07

 Cycle  39  Pass 1  IDiag  1:
 RMSU=  2.07D-06    CP:  1.00D+00  2.15D+00 -3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -1.56D+00  3.00D+00
                    CP: -3.00D+00  3.00D+00  3.00D+00
 E= -3467.32350007599     Delta-E=       -0.000000001788 Rises=F Damp=F
 DIIS: error= 2.12D-06 at cycle  39 NSaved=  20.
 NSaved=20 IEnMin= 3 EnMin= -3467.32350007680     IErMin= 1 ErrMin= 1.48D-07
 ErrMax= 2.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-09 BMatP= 1.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01 0.109D+01 0.125D+00-0.140D+01-0.214D+01 0.213D+01
 Coeff-Com:  0.580D+01-0.579D+01 0.928D+00-0.139D+01 0.549D+00 0.163D+00
 Coeff-Com:  0.155D+01-0.203D+01-0.783D+00-0.130D+01 0.167D+01 0.183D+01
 Coeff-Com: -0.157D+01 0.565D+00
 Coeff:      0.100D+01 0.109D+01 0.125D+00-0.140D+01-0.214D+01 0.213D+01
 Coeff:      0.580D+01-0.579D+01 0.928D+00-0.139D+01 0.549D+00 0.163D+00
 Coeff:      0.155D+01-0.203D+01-0.783D+00-0.130D+01 0.167D+01 0.183D+01
 Coeff:     -0.157D+01 0.565D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.96D-06 MaxDP=2.26D-04 DE=-1.79D-09 OVMax= 7.21D-07

 Cycle  40  Pass 1  IDiag  1:
 RMSU=  7.15D-07    CP:  1.00D+00  1.60D+00 -3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00  3.00D+00  3.00D+00  1.85D+00
 E= -3467.32350007827     Delta-E=       -0.000000002281 Rises=F Damp=F
 DIIS: error= 2.11D-06 at cycle  40 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3467.32350007827     IErMin= 3 ErrMin= 2.04D-06
 ErrMax= 2.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-09 BMatP= 3.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 20 BigCof=   41.94 CofMax=   10.00 Det=-1.10D-14
 Inversion failed.  Reducing to 19 matrices.
 Large coefficients: NSaved= 19 BigCof=   41.99 CofMax=   10.00 Det=-1.11D-14
 Inversion failed.  Reducing to 18 matrices.
 Large coefficients: NSaved= 18 BigCof=   45.41 CofMax=   10.00 Det=-1.39D-14
 Inversion failed.  Reducing to 17 matrices.
 Large coefficients: NSaved= 17 BigCof=   45.72 CofMax=   10.00 Det=-1.45D-14
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=   45.05 CofMax=   10.00 Det=-1.46D-14
 Inversion failed.  Reducing to 15 matrices.
 Large coefficients: NSaved= 15 BigCof=   42.76 CofMax=   10.00 Det=-1.49D-14
 Inversion failed.  Reducing to 14 matrices.
 Large coefficients: NSaved= 14 BigCof=   42.43 CofMax=   10.00 Det=-1.49D-14
 Inversion failed.  Reducing to 13 matrices.
 Large coefficients: NSaved= 13 BigCof=   42.60 CofMax=   10.00 Det=-1.49D-14
 Inversion failed.  Reducing to 12 matrices.
 Large coefficients: NSaved= 12 BigCof=   38.36 CofMax=   10.00 Det=-1.52D-14
 Inversion failed.  Reducing to 11 matrices.
 Large coefficients: NSaved= 11 BigCof=   15.80 CofMax=   10.00 Det=-1.03D-13
 Inversion failed.  Reducing to 10 matrices.
 Large coefficients: NSaved= 10 BigCof=   15.75 CofMax=   10.00 Det=-1.09D-13
 Inversion failed.  Reducing to  9 matrices.
 Large coefficients: NSaved=  9 BigCof=   15.85 CofMax=   10.00 Det=-1.09D-13
 Inversion failed.  Reducing to  8 matrices.
 Large coefficients: NSaved=  8 BigCof=   11.84 CofMax=   10.00 Det=-1.33D-13
 Inversion failed.  Reducing to  7 matrices.
 Coeff-Com: -0.735D+00-0.793D+00 0.413D+01 0.132D+01-0.287D+01 0.509D+00
 Coeff-Com: -0.564D+00
 Coeff:     -0.735D+00-0.793D+00 0.413D+01 0.132D+01-0.287D+01 0.509D+00
 Coeff:     -0.564D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=4.00D-05 MaxDP=5.14D-03 DE=-2.28D-09 OVMax= 4.24D-06

 Cycle  41  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3467.32350007725     Delta-E=        0.000000001020 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle  41 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -3467.32350007827     IErMin= 8 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-11 BMatP= 3.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D+01-0.135D+01 0.474D+01 0.150D+01-0.368D+01 0.388D+00
 Coeff-Com: -0.274D+00 0.106D+01
 Coeff:     -0.138D+01-0.135D+01 0.474D+01 0.150D+01-0.368D+01 0.388D+00
 Coeff:     -0.274D+00 0.106D+01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=4.46D-06 MaxDP=5.47D-04 DE= 1.02D-09 OVMax= 7.44D-07

 Cycle  42  Pass 1  IDiag  1:
 RMSU=  4.36D-06    CP:  1.00D+00
 E= -3467.32350007568     Delta-E=        0.000000001566 Rises=F Damp=F
 DIIS: error= 1.89D-07 at cycle  42 NSaved=   9.
 NSaved= 9 IEnMin= 7 EnMin= -3467.32350007827     IErMin= 9 ErrMin= 1.89D-07
 ErrMax= 1.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-11 BMatP= 5.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D+01-0.154D+01 0.467D+01 0.172D+01-0.362D+01 0.196D+00
 Coeff-Com: -0.147D+00 0.463D+00 0.564D+00
 Coeff:     -0.130D+01-0.154D+01 0.467D+01 0.172D+01-0.362D+01 0.196D+00
 Coeff:     -0.147D+00 0.463D+00 0.564D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=6.58D-07 MaxDP=8.76D-05 DE= 1.57D-09 OVMax= 2.96D-07

 Cycle  43  Pass 1  IDiag  1:
 RMSU=  6.11D-07    CP:  1.00D+00  1.04D+00
 E= -3467.32350007623     Delta-E=       -0.000000000548 Rises=F Damp=F
 DIIS: error= 1.85D-07 at cycle  43 NSaved=  10.
 NSaved=10 IEnMin= 7 EnMin= -3467.32350007827     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 1.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-11 BMatP= 3.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D+01-0.187D+01 0.489D+01 0.197D+01-0.378D+01 0.169D+00
 Coeff-Com: -0.161D+00 0.116D+00 0.317D+00 0.575D+00
 Coeff:     -0.123D+01-0.187D+01 0.489D+01 0.197D+01-0.378D+01 0.169D+00
 Coeff:     -0.161D+00 0.116D+00 0.317D+00 0.575D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=4.05D-07 MaxDP=4.21D-05 DE=-5.48D-10 OVMax= 2.57D-07

 Cycle  44  Pass 1  IDiag  1:
 RMSU=  2.54D-07    CP:  1.00D+00  1.07D+00  1.45D+00
 E= -3467.32350007511     Delta-E=        0.000000001113 Rises=F Damp=F
 DIIS: error= 1.96D-07 at cycle  44 NSaved=  11.
 NSaved=11 IEnMin= 7 EnMin= -3467.32350007827     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 1.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-11 BMatP= 3.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D+01-0.195D+01 0.496D+01 0.198D+01-0.380D+01 0.203D+00
 Coeff-Com: -0.194D+00 0.116D+00 0.228D+00 0.480D+00 0.184D+00
 Coeff:     -0.121D+01-0.195D+01 0.496D+01 0.198D+01-0.380D+01 0.203D+00
 Coeff:     -0.194D+00 0.116D+00 0.228D+00 0.480D+00 0.184D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.30D-07 MaxDP=1.83D-05 DE= 1.11D-09 OVMax= 3.36D-08

 Cycle  45  Pass 1  IDiag  1:
 RMSU=  9.07D-08    CP:  1.00D+00  1.07D+00  1.45D+00  1.37D+00
 E= -3467.32350007494     Delta-E=        0.000000000175 Rises=F Damp=F
 DIIS: error= 2.29D-07 at cycle  45 NSaved=  12.
 NSaved=12 IEnMin= 7 EnMin= -3467.32350007827     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 2.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-11 BMatP= 3.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D+01-0.175D+01 0.472D+01 0.195D+01-0.380D+01 0.190D+00
 Coeff-Com: -0.173D+00 0.895D-01 0.219D+00 0.503D+00 0.856D+00-0.660D+00
 Coeff:     -0.113D+01-0.175D+01 0.472D+01 0.195D+01-0.380D+01 0.190D+00
 Coeff:     -0.173D+00 0.895D-01 0.219D+00 0.503D+00 0.856D+00-0.660D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=2.91D-07 MaxDP=2.55D-05 DE= 1.75D-10 OVMax= 3.49D-08

 Cycle  46  Pass 1  IDiag  1:
 RMSU=  2.30D-07    CP:  1.00D+00  1.08D+00  1.45D+00  1.07D+00 -5.95D-01
 E= -3467.32350007442     Delta-E=        0.000000000524 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  46 NSaved=  13.
 NSaved=13 IEnMin= 7 EnMin= -3467.32350007827     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-11 BMatP= 3.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D+01-0.182D+01 0.470D+01 0.197D+01-0.379D+01 0.178D+00
 Coeff-Com: -0.166D+00 0.861D-01 0.175D+00 0.440D+00 0.632D+00-0.759D+00
 Coeff-Com:  0.432D+00
 Coeff:     -0.108D+01-0.182D+01 0.470D+01 0.197D+01-0.379D+01 0.178D+00
 Coeff:     -0.166D+00 0.861D-01 0.175D+00 0.440D+00 0.632D+00-0.759D+00
 Coeff:      0.432D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=1.57D-07 MaxDP=1.36D-05 DE= 5.24D-10 OVMax= 4.43D-08

 Cycle  47  Pass 1  IDiag  1:
 RMSU=  9.73D-08    CP:  1.00D+00  1.09D+00  1.51D+00  1.08D+00 -5.10D-01
                    CP:  1.49D+00
 E= -3467.32350007454     Delta-E=       -0.000000000124 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  47 NSaved=  14.
 NSaved=14 IEnMin= 7 EnMin= -3467.32350007827     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-11 BMatP= 3.11D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D+01-0.182D+01 0.469D+01 0.196D+01-0.378D+01 0.177D+00
 Coeff-Com: -0.166D+00 0.862D-01 0.175D+00 0.440D+00 0.624D+00-0.758D+00
 Coeff-Com:  0.420D+00 0.185D-01
 Coeff:     -0.108D+01-0.182D+01 0.469D+01 0.196D+01-0.378D+01 0.177D+00
 Coeff:     -0.166D+00 0.862D-01 0.175D+00 0.440D+00 0.624D+00-0.758D+00
 Coeff:      0.420D+00 0.185D-01
 Gap=     0.262 Goal=   None    Shift=    0.000
 Gap=     0.205 Goal=   None    Shift=    0.000
 RMSDP=5.55D-09 MaxDP=4.47D-07 DE=-1.24D-10 OVMax= 8.99D-10

 SCF Done:  E(ULC-PBE+HF-PBE) =  -3467.32350007     A.U. after   47 cycles
            NFock= 47  Conv=0.55D-08     -V/T= 2.0031
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7517 S= 0.5009
 <L.S>= 0.000000000000E+00
 KE= 3.456718831646D+03 PE=-1.806982840649D+04 EE= 6.218311580126D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7517,   after     0.7500
 Leave Link  502 at Thu Aug 26 18:24:28 2021, MaxMem= 16106127360 cpu:          251855.7 elap:           31835.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l508.exe)
 QCSCF skips out because SCF is already converged.
 Leave Link  508 at Thu Aug 26 18:24:29 2021, MaxMem= 16106127360 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1089
 NBasis=  1093 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=   1089 NOA=   144 NOB=   143 NVA=   945 NVB=   946

 **** Warning!!: The largest alpha MO coefficient is  0.77958718D+02


 **** Warning!!: The largest beta MO coefficient is  0.78109548D+02

 Leave Link  801 at Thu Aug 26 18:24:29 2021, MaxMem= 16106127360 cpu:               2.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19888 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.52D-12 8.33D-09 XBig12= 1.00D+00 4.42D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.52D-12 8.33D-09 XBig12= 3.89D-01 3.86D-01.
     11 vectors produced by pass  2 Test12= 4.52D-12 8.33D-09 XBig12= 2.68D-01 2.06D-01.
     11 vectors produced by pass  3 Test12= 4.52D-12 8.33D-09 XBig12= 1.49D-01 1.16D-01.
     11 vectors produced by pass  4 Test12= 4.52D-12 8.33D-09 XBig12= 5.81D-02 6.35D-02.
     11 vectors produced by pass  5 Test12= 4.52D-12 8.33D-09 XBig12= 1.80D-02 5.26D-02.
     11 vectors produced by pass  6 Test12= 4.52D-12 8.33D-09 XBig12= 3.73D-03 2.43D-02.
     11 vectors produced by pass  7 Test12= 4.52D-12 8.33D-09 XBig12= 1.03D-03 7.73D-03.
     11 vectors produced by pass  8 Test12= 4.52D-12 8.33D-09 XBig12= 3.39D-04 5.67D-03.
     11 vectors produced by pass  9 Test12= 4.52D-12 8.33D-09 XBig12= 7.83D-05 2.39D-03.
     11 vectors produced by pass 10 Test12= 4.52D-12 8.33D-09 XBig12= 1.26D-05 7.88D-04.
     11 vectors produced by pass 11 Test12= 4.52D-12 8.33D-09 XBig12= 9.55D-07 2.25D-04.
     11 vectors produced by pass 12 Test12= 4.52D-12 8.33D-09 XBig12= 1.03D-07 6.33D-05.
     11 vectors produced by pass 13 Test12= 4.52D-12 8.33D-09 XBig12= 1.14D-08 2.55D-05.
     11 vectors produced by pass 14 Test12= 4.52D-12 8.33D-09 XBig12= 1.04D-09 8.55D-06.
     11 vectors produced by pass 15 Test12= 4.52D-12 8.33D-09 XBig12= 7.03D-11 2.37D-06.
      9 vectors produced by pass 16 Test12= 4.52D-12 8.33D-09 XBig12= 6.07D-12 6.87D-07.
      7 vectors produced by pass 17 Test12= 4.52D-12 8.33D-09 XBig12= 6.57D-13 1.45D-07.
      5 vectors produced by pass 18 Test12= 4.52D-12 8.33D-09 XBig12= 2.22D-13 3.94D-08.
      4 vectors produced by pass 19 Test12= 4.52D-12 8.33D-09 XBig12= 2.88D-13 4.14D-08.
      4 vectors produced by pass 20 Test12= 4.52D-12 8.33D-09 XBig12= 2.26D-13 3.83D-08.
      2 vectors produced by pass 21 Test12= 4.52D-12 8.33D-09 XBig12= 2.09D-13 2.19D-08.
      1 vectors produced by pass 22 Test12= 4.52D-12 8.33D-09 XBig12= 8.31D-14 1.16D-08.
      1 vectors produced by pass 23 Test12= 4.52D-12 8.33D-09 XBig12= 1.57D-13 1.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.41D-13
 Solved reduced A of dimension   209 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.742648D+03
      2  0.408928D+02  0.358835D+03
      3 -0.448472D-01 -0.232349D-02  0.264345D+03
 Isotropic polarizability for W=    0.085645      455.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.256087D+00  0.301334D-01 -0.350685D+01
      2  -0.212239D+00  0.146947D-01 -0.115545D+03
      3  -0.438471D-01 -0.448281D-01  0.119051D+03
      4  -0.203816D+00 -0.619366D-01  0.870884D+02
      5   0.182482D+03  0.988025D+02  0.401962D-01
      6   0.145704D+03  0.490819D+02 -0.135124D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.106658D+03  0.226393D+02  0.578173D-01
      2  -0.284061D+02  0.386511D+02  0.311791D-01
      3   0.692380D+00 -0.525727D-02 -0.126427D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.117141D+02  0.164626D+03  0.902959D-01
      2  -0.185989D+03 -0.586161D+02  0.840433D-01
      3  -0.233950D+00 -0.150303D+00  0.469019D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.159327D+02 -0.122858D+01 -0.205506D+00
      2  -0.122858D+01  0.323535D+02 -0.147629D-01
      3  -0.205506D+00 -0.147629D-01  0.843798D+02
 OR G Eigenvalues:    15.8407    32.4449    84.3805  Iso=   -44.2220
 Eigenvectors:
   (1)   0.997239   0.074199   0.003006
   (2)  -0.074199   0.997243  -0.000010
   (3)  -0.002999  -0.000213   0.999995
 w=    0.085645 a.u., Optical Rotation Beta=    -44.2220 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =    -3758.49 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  597871 ScalPx= 6.82D+02
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 1.62D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 4.40D-01.
     30 vectors produced by pass  1 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 5.18D-01.
     30 vectors produced by pass  2 Test12= 7.54D-13 2.78D-09 XBig12= 4.75D-02 9.27D-02.
     30 vectors produced by pass  3 Test12= 7.54D-13 2.78D-09 XBig12= 9.99D-03 1.54D-02.
     30 vectors produced by pass  4 Test12= 7.54D-13 2.78D-09 XBig12= 9.81D-04 5.04D-03.
     30 vectors produced by pass  5 Test12= 7.54D-13 2.78D-09 XBig12= 8.94D-05 1.48D-03.
     30 vectors produced by pass  6 Test12= 7.54D-13 2.78D-09 XBig12= 4.44D-06 3.86D-04.
     30 vectors produced by pass  7 Test12= 7.54D-13 2.78D-09 XBig12= 2.72D-07 8.54D-05.
     30 vectors produced by pass  8 Test12= 7.54D-13 2.78D-09 XBig12= 1.37D-08 2.29D-05.
     30 vectors produced by pass  9 Test12= 7.54D-13 2.78D-09 XBig12= 6.06D-10 3.87D-06.
     30 vectors produced by pass 10 Test12= 7.54D-13 2.78D-09 XBig12= 1.79D-11 4.46D-07.
     28 vectors produced by pass 11 Test12= 7.54D-13 2.78D-09 XBig12= 5.42D-13 7.26D-08.
     15 vectors produced by pass 12 Test12= 7.54D-13 2.78D-09 XBig12= 1.51D-13 1.74D-08.
      4 vectors produced by pass 13 Test12= 7.54D-13 2.78D-09 XBig12= 9.10D-14 1.20D-08.
      2 vectors produced by pass 14 Test12= 7.54D-13 2.78D-09 XBig12= 6.70D-14 8.76D-09.
      2 vectors produced by pass 15 Test12= 7.54D-13 2.78D-09 XBig12= 3.37D-14 4.35D-09.
      2 vectors produced by pass 16 Test12= 7.54D-13 2.78D-09 XBig12= 4.90D-14 6.91D-09.
      2 vectors produced by pass 17 Test12= 7.54D-13 2.78D-09 XBig12= 3.37D-14 4.77D-09.
      2 vectors produced by pass 18 Test12= 7.54D-13 2.78D-09 XBig12= 3.47D-14 4.26D-09.
      2 vectors produced by pass 19 Test12= 7.54D-13 2.78D-09 XBig12= 3.18D-14 4.39D-09.
      2 vectors produced by pass 20 Test12= 7.54D-13 2.78D-09 XBig12= 4.01D-14 4.62D-09.
      2 vectors produced by pass 21 Test12= 7.54D-13 2.78D-09 XBig12= 2.84D-14 4.03D-09.
      2 vectors produced by pass 22 Test12= 7.54D-13 2.78D-09 XBig12= 3.62D-14 4.09D-09.
      2 vectors produced by pass 23 Test12= 7.54D-13 2.78D-09 XBig12= 2.88D-14 4.30D-09.
      1 vectors produced by pass 24 Test12= 7.54D-13 2.78D-09 XBig12= 3.16D-14 5.79D-09.
      1 vectors produced by pass 25 Test12= 7.54D-13 2.78D-09 XBig12= 3.16D-14 4.49D-09.
      1 vectors produced by pass 26 Test12= 7.54D-13 2.78D-09 XBig12= 3.05D-14 3.77D-09.
      1 vectors produced by pass 27 Test12= 7.54D-13 2.78D-09 XBig12= 2.74D-14 3.42D-09.
      1 vectors produced by pass 28 Test12= 7.54D-13 2.78D-09 XBig12= 2.88D-14 4.11D-09.
      1 vectors produced by pass 29 Test12= 7.54D-13 2.78D-09 XBig12= 2.83D-14 3.87D-09.
      1 vectors produced by pass 30 Test12= 7.54D-13 2.78D-09 XBig12= 3.69D-14 3.90D-09.
      1 vectors produced by pass 31 Test12= 7.54D-13 2.78D-09 XBig12= 2.55D-14 3.23D-09.
      1 vectors produced by pass 32 Test12= 7.54D-13 2.78D-09 XBig12= 3.16D-14 3.64D-09.
      1 vectors produced by pass 33 Test12= 7.54D-13 2.78D-09 XBig12= 2.93D-14 3.76D-09.
      1 vectors produced by pass 34 Test12= 7.54D-13 2.78D-09 XBig12= 2.66D-14 3.40D-09.
      1 vectors produced by pass 35 Test12= 7.54D-13 2.78D-09 XBig12= 3.40D-14 4.61D-09.
      1 vectors produced by pass 36 Test12= 7.54D-13 2.78D-09 XBig12= 3.09D-14 4.50D-09.
      1 vectors produced by pass 37 Test12= 7.54D-13 2.78D-09 XBig12= 3.11D-14 3.72D-09.
      1 vectors produced by pass 38 Test12= 7.54D-13 2.78D-09 XBig12= 2.97D-14 4.85D-09.
      1 vectors produced by pass 39 Test12= 7.54D-13 2.78D-09 XBig12= 3.12D-14 3.71D-09.
      1 vectors produced by pass 40 Test12= 7.54D-13 2.78D-09 XBig12= 2.97D-14 3.33D-09.
      1 vectors produced by pass 41 Test12= 7.54D-13 2.78D-09 XBig12= 3.49D-14 4.72D-09.
      1 vectors produced by pass 42 Test12= 7.54D-13 2.78D-09 XBig12= 2.45D-14 3.62D-09.
      1 vectors produced by pass 43 Test12= 7.54D-13 2.78D-09 XBig12= 3.06D-14 3.69D-09.
      1 vectors produced by pass 44 Test12= 7.54D-13 2.78D-09 XBig12= 2.51D-14 2.93D-09.
      1 vectors produced by pass 45 Test12= 7.54D-13 2.78D-09 XBig12= 2.59D-14 3.20D-09.
      1 vectors produced by pass 46 Test12= 7.54D-13 2.78D-09 XBig12= 2.77D-14 2.99D-09.
      1 vectors produced by pass 47 Test12= 7.54D-13 2.78D-09 XBig12= 2.68D-14 3.79D-09.
      1 vectors produced by pass 48 Test12= 7.54D-13 2.78D-09 XBig12= 2.55D-14 3.81D-09.
      1 vectors produced by pass 49 Test12= 7.54D-13 2.78D-09 XBig12= 2.87D-14 3.83D-09.
      1 vectors produced by pass 50 Test12= 7.54D-13 2.78D-09 XBig12= 2.67D-14 3.24D-09.
      1 vectors produced by pass 51 Test12= 7.54D-13 2.78D-09 XBig12= 2.66D-14 3.71D-09.
      1 vectors produced by pass 52 Test12= 7.54D-13 2.78D-09 XBig12= 2.42D-14 3.22D-09.
      1 vectors produced by pass 53 Test12= 7.54D-13 2.78D-09 XBig12= 2.92D-14 3.92D-09.
      1 vectors produced by pass 54 Test12= 7.54D-13 2.78D-09 XBig12= 2.70D-14 4.03D-09.
      1 vectors produced by pass 55 Test12= 7.54D-13 2.78D-09 XBig12= 3.26D-14 5.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   429 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.66D+04
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.66D+04
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 1.10D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.742648D+03  0.408928D+02 -0.448472D-01
      2   0.408928D+02  0.358835D+03 -0.232349D-02
      3  -0.448472D-01 -0.232349D-02  0.264345D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106658D+03  0.226393D+02  0.578173D-01
      2  -0.284061D+02  0.386511D+02  0.311791D-01
      3   0.692380D+00 -0.525727D-02 -0.126427D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256087D+00  0.301334D-01 -0.350685D+01
      2  -0.212239D+00  0.146947D-01 -0.115545D+03
      3  -0.438471D-01 -0.448281D-01  0.119051D+03
      4  -0.203816D+00 -0.619366D-01  0.870884D+02
      5   0.182482D+03  0.988025D+02  0.401962D-01
      6   0.145704D+03  0.490819D+02 -0.135124D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.804138D+01  0.289459D+00  0.183179D+01  0.722133D+01  0.230142D+01
      2   0.289459D+00  0.919356D+00  0.576330D+00  0.230142D+01 -0.845493D+00
      3   0.183179D+01  0.576330D+00  0.177067D+01 -0.839961D+00  0.597911D+00
                 6             7             8             9            10 
      1  -0.839961D+00 -0.124652D+02 -0.146832D+01  0.253522D+01 -0.458133D+02
      2   0.597911D+00 -0.146832D+01 -0.709904D+00  0.329003D+01 -0.189751D+01
      3   0.334844D+01  0.253522D+01  0.329003D+01  0.811569D+00 -0.296536D+00
                11            12            13            14            15 
      1  -0.189751D+01 -0.296536D+00  0.329992D+02 -0.111609D+01 -0.152642D+01
      2  -0.365392D+01  0.654398D+00 -0.111609D+01  0.470665D-01 -0.216135D+01
      3   0.654398D+00 -0.189796D+01 -0.152642D+01 -0.216135D+01 -0.426551D+01
                16            17            18            19            20 
      1  -0.211361D+01  0.709087D+00 -0.532656D+01  0.232974D+03  0.120383D+02
      2   0.709087D+00 -0.534369D+00 -0.252473D+01  0.120383D+02  0.101777D+02
      3  -0.532656D+01 -0.252473D+01  0.103377D+00 -0.334794D+00  0.179297D+01
                21            22            23            24            25 
      1  -0.334794D+00  0.103364D+03  0.303474D+02 -0.617499D+01  0.482843D+02
      2   0.179297D+01  0.303474D+02  0.921404D+01  0.181781D+01  0.646483D+01
      3   0.107244D+01 -0.617499D+01  0.181781D+01  0.124506D+01  0.140183D+01
                26            27            28            29            30 
      1   0.646483D+01  0.140183D+01 -0.595472D+03 -0.219239D+02 -0.126917D+02
      2   0.146809D+01  0.155921D+01 -0.219239D+02  0.226472D+01  0.392897D+00
      3   0.155921D+01  0.940893D+00 -0.126917D+02  0.392897D+00  0.166531D+00
                31            32            33            34            35 
      1   0.127014D+03 -0.235936D+02 -0.219653D+01  0.649543D+02 -0.381806D+01
      2  -0.235936D+02  0.620323D+01 -0.149282D+00 -0.381806D+01  0.652924D+00
      3  -0.219653D+01 -0.149282D+00  0.133389D+01  0.397339D+01  0.297790D+01
                36            37            38            39            40 
      1   0.397339D+01  0.254445D+03  0.245221D+02 -0.222591D+01  0.156139D+03
      2   0.297790D+01  0.245221D+02  0.171409D+01  0.148483D+01  0.278308D+02
      3   0.138227D+01 -0.222591D+01  0.148483D+01 -0.305970D+01  0.348685D+01
                41            42            43            44            45 
      1   0.278308D+02  0.348685D+01 -0.797487D+02  0.468628D+01 -0.411369D+01
      2   0.229833D+01 -0.175492D+01  0.468628D+01  0.621727D+00 -0.141695D+01
      3  -0.175492D+01  0.206647D+01 -0.411369D+01 -0.141695D+01  0.210311D+01
                46            47            48            49            50 
      1  -0.103897D+02 -0.776214D+01  0.198244D+01 -0.223304D+02 -0.107776D+02
      2  -0.776214D+01 -0.431308D+01 -0.260266D-01 -0.107776D+02 -0.126001D+01
      3   0.198244D+01 -0.260266D-01  0.306867D+01  0.239014D+01  0.269370D+01
                51            52            53            54            55 
      1   0.239014D+01 -0.806161D+01 -0.484141D+01  0.459530D+01 -0.818280D+01
      2   0.269370D+01 -0.484141D+01 -0.638878D+00 -0.371359D+00 -0.754734D+01
      3  -0.992327D+00  0.459530D+01 -0.371359D+00 -0.123096D+01  0.237517D+01
                56            57            58            59            60 
      1  -0.754734D+01  0.237517D+01 -0.747453D+02 -0.786307D+01 -0.171113D+01
      2  -0.885066D-01 -0.149841D+01 -0.786307D+01  0.388504D+00  0.293269D+01
      3  -0.149841D+01  0.424768D+01 -0.171113D+01  0.293269D+01  0.283254D+01
                61            62            63            64            65 
      1   0.380840D+02  0.175890D+01  0.665477D+01  0.103785D+04  0.416565D+02
      2   0.175890D+01  0.369061D+01  0.255087D+01  0.416565D+02 -0.134955D+01
      3   0.665477D+01  0.255087D+01 -0.944611D+00  0.490464D+01 -0.165560D+01
                66            67            68            69            70 
      1   0.490464D+01  0.112720D+03  0.227147D+02  0.261793D+02  0.200430D+03
      2  -0.165560D+01  0.227147D+02  0.735665D+01  0.216276D+01  0.789574D+01
      3   0.161202D+01  0.261793D+02  0.216276D+01  0.101642D+01  0.621474D+01
                71            72            73            74            75 
      1   0.789574D+01  0.621474D+01  0.185229D+00  0.335059D-01 -0.194546D+01
      2   0.384565D+00  0.140374D+01  0.335059D-01  0.121262D-02  0.579336D+00
      3   0.140374D+01  0.647953D-01 -0.194546D+01  0.579336D+00  0.183895D-02
                76            77            78            79            80 
      1  -0.274903D+01  0.275711D-01 -0.674561D+02 -0.177133D+03 -0.172216D+02
      2   0.275711D-01  0.632789D-02 -0.502669D+00 -0.172216D+02 -0.429950D+00
      3  -0.674561D+02 -0.502669D+00  0.273012D-01  0.414253D-01  0.375337D-02
                81            82            83            84            85 
      1   0.414253D-01  0.895595D+03  0.130660D+02 -0.621020D+01 -0.273146D+03
      2   0.375337D-02  0.130660D+02 -0.940425D+00 -0.148979D+01  0.725638D+01
      3  -0.315957D+00 -0.621020D+01 -0.148979D+01  0.136569D+01  0.202774D+02
                86            87            88            89            90 
      1   0.725638D+01  0.202774D+02 -0.109952D+03  0.595742D+00  0.406414D+01
      2  -0.464103D+01 -0.101166D+01  0.595742D+00  0.481613D-01 -0.134676D+01
      3  -0.101166D+01 -0.437250D+00  0.406414D+01 -0.134676D+01  0.590781D-01
                91            92            93            94            95 
      1  -0.629523D+03 -0.243361D+02  0.167786D+02 -0.205290D+03 -0.403171D+02
      2  -0.243361D+02 -0.384924D+01 -0.189438D+00 -0.403171D+02 -0.219341D+02
      3   0.167786D+02 -0.189438D+00 -0.523815D+00 -0.538136D+01 -0.310612D+01
                96            97            98            99           100 
      1  -0.538136D+01 -0.776628D+02 -0.580664D+01 -0.950537D+00  0.830914D+02
      2  -0.310612D+01 -0.580664D+01 -0.260472D+01 -0.440718D+01 -0.128668D+02
      3  -0.369548D+01 -0.950537D+00 -0.440718D+01 -0.216404D+01  0.139943D+01
               101           102           103           104           105 
      1  -0.128668D+02  0.139943D+01 -0.587334D+02  0.260510D+02  0.503461D+01
      2  -0.431790D+01 -0.840818D+00  0.260510D+02  0.372792D+01  0.138627D+01
      3  -0.840818D+00 -0.123901D+01  0.503461D+01  0.138627D+01 -0.373949D+00
               106           107           108           109           110 
      1   0.207853D+02  0.310843D+01  0.656575D+00  0.137262D+02  0.318113D+01
      2   0.310843D+01 -0.138477D+01  0.114980D+01  0.318113D+01  0.435712D+01
      3   0.656575D+00  0.114980D+01 -0.351237D+00  0.179000D+01  0.220420D+00
               111           112           113           114           115 
      1   0.179000D+01 -0.174402D+02 -0.204264D+01 -0.161515D+01  0.125444D+02
      2   0.220420D+00 -0.204264D+01 -0.462926D+01  0.883649D+00  0.268523D+01
      3   0.109223D+01 -0.161515D+01  0.883649D+00 -0.680022D+00  0.247430D+01
               116           117           118           119           120 
      1   0.268523D+01  0.247430D+01 -0.392363D+02 -0.765816D+01  0.730596D+00
      2   0.484988D+01 -0.146341D+01 -0.765816D+01 -0.154909D+01 -0.141711D+01
      3  -0.146341D+01  0.388259D+01  0.730596D+00 -0.141711D+01  0.322546D+01
               121           122           123           124           125 
      1  -0.152122D+02 -0.352296D+01 -0.177203D+01  0.419112D+01 -0.139293D+01
      2  -0.352296D+01 -0.107430D+01  0.151851D+01 -0.139293D+01  0.142968D+01
      3  -0.177203D+01  0.151851D+01 -0.646351D+00  0.185005D+01 -0.887304D+00
               126           127           128           129           130 
      1   0.185005D+01 -0.140342D+01  0.470610D+01 -0.133165D+01  0.389919D+02
      2  -0.887304D+00  0.470610D+01 -0.448163D+00  0.160442D+01  0.159228D+01
      3  -0.362414D+01 -0.133165D+01  0.160442D+01 -0.255662D+01  0.192436D+01
               131           132           133           134           135 
      1   0.159228D+01  0.192436D+01 -0.806417D+01 -0.133985D+00 -0.420048D+01
      2  -0.176892D+01 -0.291687D+01 -0.133985D+00 -0.322775D+01 -0.302569D+01
      3  -0.291687D+01 -0.262942D+01 -0.420048D+01 -0.302569D+01  0.138714D+01
               136           137           138           139           140 
      1  -0.289427D+01  0.422246D+01 -0.122841D+01  0.300120D+01 -0.222664D+01
      2   0.422246D+01 -0.517927D+00  0.187108D+01 -0.222664D+01 -0.109086D+01
      3  -0.122841D+01  0.187108D+01 -0.213544D+01  0.142297D+01 -0.407380D+01
               141           142           143           144           145 
      1   0.142297D+01  0.183719D+01  0.182124D+01 -0.319231D+01 -0.103760D+04
      2  -0.407380D+01  0.182124D+01 -0.300595D+01 -0.210721D+01 -0.417932D+02
      3  -0.210047D+01 -0.319231D+01 -0.210721D+01  0.468328D+00  0.507840D+01
               146           147           148           149           150 
      1  -0.417932D+02  0.507840D+01 -0.110703D+03 -0.226788D+02  0.262091D+02
      2   0.134571D+01 -0.164765D+01 -0.226788D+02 -0.735679D+01  0.217349D+01
      3  -0.164765D+01 -0.161547D+01  0.262091D+02  0.217349D+01 -0.103477D+01
               151           152           153           154           155 
      1   0.201080D+03  0.794107D+01 -0.627879D+01  0.594810D+03  0.220476D+02
      2   0.794107D+01  0.391837D+00 -0.140659D+01  0.220476D+02 -0.225943D+01
      3  -0.627879D+01 -0.140659D+01  0.770209D-01 -0.128779D+02  0.392899D+00
               156           157           158           159           160 
      1  -0.128779D+02 -0.125971D+03  0.235708D+02 -0.224944D+01  0.653798D+02
      2   0.392899D+00  0.235708D+02 -0.621151D+01 -0.161429D+00 -0.379177D+01
      3  -0.156080D+00 -0.224944D+01 -0.161429D+00 -0.133414D+01 -0.397767D+01
               161           162           163           164           165 
      1  -0.379177D+01 -0.397767D+01 -0.254775D+03 -0.245610D+02 -0.216688D+01
      2   0.661808D+00 -0.297897D+01 -0.245610D+02 -0.171569D+01  0.149065D+01
      3  -0.297897D+01  0.138783D+01 -0.216688D+01  0.149065D+01  0.305284D+01
               166           167           168           169           170 
      1  -0.156724D+03 -0.278917D+02  0.352417D+01 -0.801695D+02  0.466257D+01
      2  -0.278917D+02 -0.229815D+01 -0.174667D+01  0.466257D+01  0.630864D+00
      3   0.352417D+01 -0.174667D+01 -0.205662D+01  0.411140D+01  0.142444D+01
               171           172           173           174           175 
      1   0.411140D+01  0.816978D+01  0.755745D+01  0.238775D+01  0.749913D+02
      2   0.142444D+01  0.755745D+01  0.894094D-01 -0.149170D+01  0.788253D+01
      3   0.212062D+01  0.238775D+01 -0.149170D+01 -0.423711D+01 -0.171161D+01
               176           177           178           179           180 
      1   0.788253D+01 -0.171161D+01  0.380841D+02  0.176328D+01 -0.664715D+01
      2  -0.388839D+00  0.292694D+01  0.176328D+01  0.368676D+01 -0.255958D+01
      3   0.292694D+01 -0.284632D+01 -0.664715D+01 -0.255958D+01 -0.960553D+00
               181           182           183           184           185 
      1   0.458905D+02  0.188164D+01 -0.314892D+00 -0.333923D+02  0.111005D+01
      2   0.188164D+01  0.365433D+01  0.651600D+00  0.111005D+01 -0.403741D-01
      3  -0.314892D+00  0.651600D+00  0.189254D+01 -0.152469D+01 -0.215133D+01
               186           187           188           189           190 
      1  -0.152469D+01 -0.217074D+01  0.718385D+00  0.532892D+01 -0.233104D+03
      2  -0.215133D+01  0.718385D+00 -0.527489D+00  0.252746D+01 -0.119979D+02
      3   0.427177D+01  0.532892D+01  0.252746D+01  0.111434D+00 -0.250601D+00
               191           192           193           194           195 
      1  -0.119979D+02 -0.250601D+00 -0.104430D+03 -0.302962D+02 -0.612928D+01
      2  -0.101817D+02  0.179228D+01 -0.302962D+02 -0.921964D+01  0.183025D+01
      3   0.179228D+01 -0.107239D+01 -0.612928D+01  0.183025D+01 -0.124112D+01
               196           197           198           199           200 
      1   0.488729D+02  0.647686D+01 -0.140965D+01  0.793335D+01 -0.277013D+00
      2   0.647686D+01  0.145607D+01 -0.155893D+01 -0.277013D+00 -0.916991D+00
      3  -0.140965D+01 -0.155893D+01  0.938754D+00  0.185596D+01  0.582597D+00
               201           202           203           204           205 
      1   0.185596D+01 -0.723654D+01 -0.230442D+01 -0.832635D+00 -0.124419D+02
      2   0.582597D+00 -0.230442D+01  0.841878D+00  0.592933D+00 -0.146870D+01
      3  -0.176489D+01 -0.832635D+00  0.592933D+00 -0.334772D+01 -0.252863D+01
               206           207           208           209           210 
      1  -0.146870D+01 -0.252863D+01  0.104056D+02  0.777550D+01  0.198532D+01
      2  -0.715211D+00 -0.328959D+01  0.777550D+01  0.432113D+01 -0.246511D-01
      3  -0.328959D+01  0.805709D+00  0.198532D+01 -0.246511D-01 -0.306048D+01
               211           212           213           214           215 
      1   0.224107D+02  0.108018D+02  0.238628D+01 -0.815719D+01 -0.484782D+01
      2   0.108018D+02  0.127251D+01  0.269858D+01 -0.484782D+01 -0.636535D+00
      3   0.238628D+01  0.269858D+01  0.987326D+00 -0.458554D+01  0.365581D+00
               216           217           218           219           220 
      1  -0.458554D+01  0.290153D+01 -0.422265D+01 -0.124233D+01 -0.303171D+01
      2   0.365581D+00 -0.422265D+01  0.530273D+00  0.185845D+01  0.224044D+01
      3  -0.124711D+01 -0.124233D+01  0.185845D+01  0.212870D+01  0.140508D+01
               221           222           223           224           225 
      1   0.224044D+01  0.140508D+01  0.188610D+01  0.180782D+01  0.318387D+01
      2   0.107870D+01 -0.407418D+01  0.180782D+01 -0.300411D+01  0.212055D+01
      3  -0.407418D+01  0.211593D+01  0.318387D+01  0.212055D+01  0.473087D+00
               226           227           228           229           230 
      1   0.146521D+01 -0.470835D+01 -0.134433D+01 -0.391433D+02 -0.160306D+01
      2  -0.470835D+01  0.447523D+00  0.159694D+01 -0.160306D+01  0.176865D+01
      3  -0.134433D+01  0.159694D+01  0.254851D+01  0.192003D+01 -0.290915D+01
               231           232           233           234           235 
      1   0.192003D+01 -0.808159D+01 -0.145881D+00  0.418922D+01  0.393109D+02
      2  -0.290915D+01 -0.145881D+00 -0.322343D+01  0.303621D+01  0.766715D+01
      3   0.264139D+01  0.418922D+01  0.303621D+01  0.139708D+01  0.730334D+00
               236           237           238           239           240 
      1   0.766715D+01  0.730334D+00  0.152284D+02  0.353106D+01 -0.177103D+01
      2   0.155307D+01 -0.141477D+01  0.353106D+01  0.107822D+01  0.151632D+01
      3  -0.141477D+01 -0.321827D+01 -0.177103D+01  0.151632D+01  0.635869D+00
               241           242           243           244           245 
      1   0.430238D+01 -0.138665D+01 -0.184370D+01  0.631580D+03  0.243352D+02
      2  -0.138665D+01  0.142696D+01  0.878395D+00  0.243352D+02  0.383316D+01
      3  -0.184370D+01  0.878395D+00 -0.364053D+01  0.165592D+02 -0.203162D+00
               246           247           248           249           250 
      1   0.165592D+02  0.205739D+03  0.402720D+02 -0.535595D+01 -0.772681D+02
      2  -0.203162D+00  0.402720D+02  0.219465D+02 -0.311750D+01 -0.583261D+01
      3   0.510874D+00 -0.535595D+01 -0.311750D+01  0.369726D+01  0.945121D+00
               251           252           253           254           255 
      1  -0.583261D+01  0.945121D+00 -0.828573D+02  0.128373D+02  0.141835D+01
      2  -0.260060D+01  0.441126D+01  0.128373D+02  0.432300D+01 -0.843541D+00
      3   0.441126D+01 -0.216138D+01  0.141835D+01 -0.843541D+00  0.123812D+01
               256           257           258           259           260 
      1   0.588713D+02 -0.259642D+02  0.500520D+01  0.203921D+02  0.312643D+01
      2  -0.259642D+02 -0.373286D+01  0.139031D+01  0.312643D+01 -0.137896D+01
      3   0.500520D+01  0.139031D+01  0.372500D+00 -0.655807D+00 -0.115125D+01
               261           262           263           264           265 
      1  -0.655807D+00 -0.137457D+02 -0.316631D+01  0.178603D+01  0.173470D+02
      2  -0.115125D+01 -0.316631D+01 -0.436287D+01  0.221109D+00  0.202373D+01
      3  -0.347890D+00  0.178603D+01  0.221109D+00 -0.109290D+01 -0.161069D+01
               266           267           268           269           270 
      1   0.202373D+01 -0.161069D+01  0.126086D+02  0.266925D+01 -0.247038D+01
      2   0.462955D+01  0.882883D+00  0.266925D+01  0.484889D+01  0.146269D+01
      3   0.882883D+00  0.680273D+00 -0.247038D+01  0.146269D+01  0.388134D+01
               271           272           273           274           275 
      1  -0.896932D+03 -0.131248D+02 -0.604677D+01  0.274409D+03 -0.730218D+01
      2  -0.131248D+02  0.950963D+00 -0.147543D+01 -0.730218D+01  0.464227D+01
      3  -0.604677D+01 -0.147543D+01 -0.136208D+01  0.202108D+02 -0.101005D+01
               276           277           278           279           280 
      1   0.202108D+02 -0.109477D+03  0.608446D+00 -0.403023D+01 -0.143482D+02
      2  -0.101005D+01  0.608446D+00  0.457558D-01  0.134699D+01 -0.449727D+01
      3   0.422292D+00 -0.403023D+01  0.134699D+01  0.662850D-01 -0.323082D+01
               281           282           283           284           285 
      1  -0.449727D+01 -0.323082D+01  0.763605D+01  0.839185D+00  0.426983D+00
      2  -0.486976D+01  0.135316D+01  0.839185D+00  0.182063D+01 -0.130492D+01
      3   0.135316D+01 -0.166889D+01  0.426983D+00 -0.130492D+01  0.153132D+00
               286           287           288           289           290 
      1  -0.174179D+02 -0.328656D+01 -0.395132D+01 -0.144249D+02  0.453643D+00
      2  -0.328656D+01 -0.294076D+01  0.166843D+01  0.453643D+00  0.182677D+01
      3  -0.395132D+01  0.166843D+01 -0.379773D+01 -0.165290D+01 -0.378630D+00
               291           292           293           294           295 
      1  -0.165290D+01 -0.253871D+02  0.126206D+01 -0.120103D+01  0.450935D+01
      2  -0.378630D+00  0.126206D+01  0.612778D+01 -0.118629D+01 -0.233575D-01
      3   0.812499D+00 -0.120103D+01 -0.118629D+01  0.724411D+00  0.412447D+00
               296           297           298           299           300 
      1  -0.233575D-01  0.412447D+00  0.142649D+02 -0.457129D+00 -0.166137D+01
      2  -0.666682D+00  0.156559D+01 -0.457129D+00 -0.182682D+01 -0.379911D+00
      3   0.156559D+01 -0.945354D+00 -0.166137D+01 -0.379911D+00 -0.811955D+00
               301           302           303           304           305 
      1   0.252195D+02 -0.128252D+01 -0.121120D+01  0.445307D+01 -0.251827D-01
      2  -0.128252D+01 -0.612442D+01 -0.118764D+01 -0.251827D-01 -0.666541D+00
      3  -0.121120D+01 -0.118764D+01 -0.723697D+00 -0.414923D+00 -0.156554D+01
               306           307           308           309           310 
      1  -0.414923D+00  0.141508D+02  0.451954D+01 -0.322713D+01 -0.759474D+01
      2  -0.156554D+01  0.451954D+01  0.487033D+01  0.135280D+01 -0.856886D+00
      3  -0.946314D+00 -0.322713D+01  0.135280D+01  0.167014D+01  0.427011D+00
               311           312           313           314           315 
      1  -0.856886D+00  0.427011D+00 -0.172671D+02 -0.329533D+01  0.394968D+01
      2  -0.182405D+01 -0.130527D+01 -0.329533D+01 -0.293850D+01 -0.166756D+01
      3  -0.130527D+01 -0.154539D+00  0.394968D+01 -0.166756D+01 -0.379687D+01
               316           317           318           319           320 
      1  -0.113320D+02 -0.451375D+01 -0.205227D+01 -0.107067D+02 -0.774942D+01
      2  -0.451375D+01 -0.446237D+01 -0.104476D+01 -0.774942D+01 -0.684783D+01
      3  -0.205227D+01 -0.104476D+01 -0.131895D+01 -0.281723D+01 -0.222780D+01
               321           322           323           324           325 
      1  -0.281723D+01  0.384371D+01  0.140937D+01 -0.774080D+00  0.132339D+01
      2  -0.222780D+01  0.140937D+01 -0.669661D+00 -0.945840D+00 -0.946491D+00
      3  -0.179714D+01 -0.774080D+00 -0.945840D+00 -0.700322D+00 -0.755407D+00
               326           327           328           329           330 
      1  -0.946491D+00 -0.755407D+00 -0.294104D+01 -0.100778D+01 -0.256202D+00
      2   0.113994D+01  0.142074D+01 -0.100778D+01 -0.157527D+01 -0.140718D+01
      3   0.142074D+01  0.365649D+01 -0.256202D+00 -0.140718D+01 -0.115901D+01
               331           332           333           334           335 
      1   0.370635D+01  0.334638D-02 -0.448584D-01 -0.210718D+02 -0.862897D+00
      2   0.334638D-02 -0.155599D+01 -0.194542D+01 -0.862897D+00 -0.115546D+01
      3  -0.448584D-01 -0.194542D+01 -0.487965D+01 -0.464459D+01 -0.512905D-01
               336           337           338           339           340 
      1  -0.464459D+01 -0.385965D+01 -0.220951D+01 -0.146408D+00 -0.377558D+01
      2  -0.512905D-01 -0.220951D+01  0.125124D+00 -0.520984D+00 -0.605289D+00
      3  -0.250095D+01 -0.146408D+00 -0.520984D+00  0.951226D-01 -0.230109D+01
               341           342           343           344           345 
      1  -0.605289D+00 -0.230109D+01  0.582939D-02  0.429513D+00 -0.635123D+00
      2   0.729986D-01  0.390386D-01  0.429513D+00  0.721150D+00 -0.663716D+00
      3   0.390386D-01 -0.110406D+01 -0.635123D+00 -0.663716D+00  0.203305D+01
               346           347           348           349           350 
      1  -0.986134D+00 -0.361456D+00  0.817392D+00  0.626285D+00  0.112901D+01
      2  -0.361456D+00  0.162792D+01 -0.181239D+01  0.112901D+01 -0.159928D+01
      3   0.817392D+00 -0.181239D+01  0.316018D+01 -0.126195D+01  0.225292D+01
               351           352           353           354           355 
      1  -0.126195D+01 -0.518900D+01  0.441309D+01  0.119481D+01  0.957945D+01
      2   0.225292D+01  0.441309D+01 -0.206449D+01 -0.315387D+00 -0.390289D+01
      3  -0.627141D+01  0.119481D+01 -0.315387D+00 -0.969135D+00 -0.206088D+00
               356           357           358           359           360 
      1  -0.390289D+01 -0.206088D+00  0.274461D+01 -0.971229D+00 -0.209348D+01
      2   0.500581D+01  0.453079D+00 -0.971229D+00  0.673887D+00  0.723919D+00
      3   0.453079D+00  0.617562D+00 -0.209348D+01  0.723919D+00  0.523587D+00
               361           362           363           364           365 
      1   0.280044D+01  0.168763D+01 -0.905730D+00  0.465750D+00  0.737833D+00
      2   0.168763D+01  0.139505D+01 -0.386540D+00  0.737833D+00  0.719886D+00
      3  -0.905730D+00 -0.386540D+00  0.284976D+01 -0.397344D+00  0.682247D+00
               366           367           368           369           370 
      1  -0.397344D+00 -0.351586D+01 -0.908725D+00  0.147731D+01 -0.248332D+01
      2   0.682247D+00 -0.908725D+00  0.275506D+00  0.632056D+00 -0.483842D+00
      3   0.994058D+00  0.147731D+01  0.632056D+00 -0.109568D+00  0.854552D+00
               371           372           373           374           375 
      1  -0.483842D+00  0.854552D+00 -0.192068D+01 -0.164709D+01  0.181505D+01
      2  -0.143519D+00 -0.141104D+00 -0.164709D+01 -0.347494D+01  0.302179D+01
      3  -0.141104D+00 -0.392774D+00  0.181505D+01  0.302179D+01 -0.485800D+01
               376           377           378           379           380 
      1   0.201644D+01  0.114363D+01 -0.210103D+01 -0.631764D+01  0.224481D+01
      2   0.114363D+01  0.221505D+01 -0.258685D+01  0.224481D+01 -0.168390D+01
      3  -0.210103D+01 -0.258685D+01  0.518392D+01  0.325638D+01 -0.136976D+01
               381           382           383           384           385 
      1   0.325638D+01  0.182572D+01 -0.291282D+01 -0.287794D+01  0.101419D+01
      2  -0.136976D+01 -0.291282D+01  0.249027D+01  0.237970D+01 -0.149166D+01
      3  -0.314476D+01 -0.287794D+01  0.237970D+01  0.294227D+01 -0.286057D+01
               386           387           388           389           390 
      1  -0.149166D+01 -0.286057D+01 -0.403108D+01 -0.992871D+00 -0.180146D+01
      2   0.143548D+01  0.115657D+01 -0.992871D+00 -0.963381D+00 -0.772524D+00
      3   0.115657D+01  0.311816D+01 -0.180146D+01 -0.772524D+00 -0.147044D+01
               391           392           393           394           395 
      1  -0.597156D+00 -0.144576D+01 -0.885860D+00 -0.502002D+01 -0.165692D+01
      2  -0.144576D+01 -0.140494D+01 -0.519569D+00 -0.165692D+01 -0.118640D+01
      3  -0.885860D+00 -0.519569D+00 -0.124854D+01 -0.184940D+01 -0.116910D+01
               396           397           398           399           400 
      1  -0.184940D+01 -0.288699D+01  0.349054D+01  0.267575D+01  0.130424D+02
      2  -0.116910D+01  0.349054D+01 -0.124044D+01 -0.616665D+00 -0.211979D+01
      3  -0.383914D+01  0.267575D+01 -0.616665D+00 -0.162318D+01 -0.268712D+01
               401           402           403           404           405 
      1  -0.211979D+01 -0.268712D+01  0.577255D+01 -0.816738D+00 -0.302518D+01
      2   0.174330D+01  0.103778D+01 -0.816738D+00  0.965830D+00  0.229016D+00
      3   0.103778D+01  0.135750D+01 -0.302518D+01  0.229016D+00  0.150304D+01
               406           407           408           409           410 
      1  -0.428920D+01 -0.101900D+01  0.833533D+00 -0.328639D+01 -0.369243D+01
      2  -0.101900D+01 -0.361713D+00  0.143583D+00 -0.369243D+01 -0.483505D+01
      3   0.833533D+00  0.143583D+00 -0.439739D+00  0.203829D+01  0.283580D+01
               411           412           413           414           415 
      1   0.203829D+01  0.496231D+01  0.226298D+01 -0.286249D+01 -0.425974D+01
      2   0.283580D+01  0.226298D+01  0.301647D+01 -0.257448D+01 -0.145820D+01
      3  -0.272282D+01 -0.286249D+01 -0.257448D+01  0.307065D+01 -0.957676D+00
               416           417           418           419           420 
      1  -0.145820D+01 -0.957676D+00 -0.158454D+01  0.102746D+00 -0.160297D+00
      2   0.335109D+01  0.793794D+00  0.102746D+00 -0.373309D+01 -0.122374D+01
      3   0.793794D+00  0.156406D+01 -0.160297D+00 -0.122374D+01 -0.794407D+00
               421           422           423           424           425 
      1  -0.115095D+01  0.647326D-03  0.603757D+00 -0.145610D+02 -0.616888D+01
      2   0.647326D-03 -0.310286D+01 -0.130592D+01 -0.616888D+01 -0.563730D+01
      3   0.603757D+00 -0.130592D+01 -0.126224D+01  0.958701D+00  0.874090D+00
               426           427           428           429           430 
      1   0.958701D+00  0.590886D+01 -0.389072D+01  0.800190D+00 -0.359403D+01
      2   0.874090D+00 -0.389072D+01 -0.581600D+01  0.543979D+00 -0.810066D-01
      3  -0.794138D+00  0.800190D+00  0.543979D+00 -0.812614D+00 -0.863430D+00
               431           432           433           434           435 
      1  -0.810066D-01 -0.863430D+00 -0.791046D+00 -0.786293D+00  0.319060D+00
      2  -0.185570D+00 -0.902905D+00 -0.786293D+00  0.105115D+01 -0.612369D+00
      3  -0.902905D+00  0.586800D+00  0.319060D+00 -0.612369D+00  0.223033D+01
               436           437           438           439           440 
      1   0.972869D+00  0.149693D+00 -0.743837D-02 -0.155483D+00  0.233093D+00
      2   0.149693D+00 -0.326310D-01  0.666109D+00  0.233093D+00  0.240922D+01
      3  -0.743837D-02  0.666109D+00 -0.231010D+00  0.403952D-01 -0.207365D+01
               441           442           443           444           445 
      1   0.403952D-01  0.244750D+01  0.481494D+00  0.847216D+00  0.191226D+01
      2  -0.207365D+01  0.481494D+00  0.135351D+00 -0.147587D+00  0.164207D+01
      3   0.619333D+01  0.847216D+00 -0.147587D+00  0.381942D+00  0.180674D+01
               446           447           448           449           450 
      1   0.164207D+01  0.180674D+01  0.200071D+01  0.113817D+01  0.208965D+01
      2   0.348179D+01  0.302210D+01  0.113817D+01  0.221384D+01  0.258330D+01
      3   0.302210D+01  0.485544D+01  0.208965D+01  0.258330D+01  0.517313D+01
               451           452           453           454           455 
      1  -0.284009D+01 -0.168824D+01 -0.912165D+00 -0.444643D+00 -0.740747D+00
      2  -0.168824D+01 -0.139645D+01 -0.390083D+00 -0.740747D+00 -0.720390D+00
      3  -0.912165D+00 -0.390083D+00 -0.284486D+01 -0.402498D+00  0.680662D+00
               456           457           458           459           460 
      1  -0.402498D+00 -0.352265D+01 -0.915515D+00 -0.148050D+01  0.633519D+01
      2   0.680662D+00 -0.915515D+00  0.274485D+00 -0.633893D+00 -0.223723D+01
      3  -0.997263D+00 -0.148050D+01 -0.633893D+00 -0.118358D+00  0.325801D+01
               461           462           463           464           465 
      1  -0.223723D+01  0.325801D+01 -0.182553D+01  0.290492D+01 -0.287954D+01
      2   0.167899D+01 -0.137091D+01  0.290492D+01 -0.248212D+01  0.237948D+01
      3  -0.137091D+01  0.315157D+01 -0.287954D+01  0.237948D+01 -0.294683D+01
               466           467           468           469           470 
      1   0.103543D+01 -0.149294D+01  0.287154D+01  0.426697D+01  0.101857D+01
      2  -0.149294D+01  0.143781D+01 -0.116100D+01  0.101857D+01  0.360194D+00
      3   0.287154D+01 -0.116100D+01  0.313498D+01  0.830208D+00  0.141906D+00
               471           472           473           474           475 
      1   0.830208D+00  0.328762D+01  0.369300D+01  0.203951D+01  0.495733D+01
      2   0.141906D+00  0.369300D+01  0.483616D+01  0.283781D+01  0.226165D+01
      3   0.439104D+00  0.203951D+01  0.283781D+01  0.272391D+01  0.286325D+01
               476           477           478           479           480 
      1   0.226165D+01  0.286325D+01  0.289905D+01 -0.348780D+01  0.267988D+01
      2   0.301552D+01  0.257355D+01 -0.348780D+01  0.123920D+01 -0.619122D+00
      3   0.257355D+01  0.307178D+01  0.267988D+01 -0.619122D+00  0.162539D+01
               481           482           483           484           485 
      1  -0.130255D+02  0.212294D+01 -0.269569D+01  0.577653D+01 -0.822401D+00
      2   0.212294D+01 -0.174574D+01  0.104232D+01 -0.822401D+00  0.969194D+00
      3  -0.269569D+01  0.104232D+01 -0.136403D+01  0.303310D+01 -0.232635D+00
               486           487           488           489           490 
      1   0.303310D+01  0.404622D+01  0.994620D+00 -0.180438D+01  0.607079D+00
      2  -0.232635D+00  0.994620D+00  0.964724D+00 -0.772525D+00  0.144528D+01
      3   0.151176D+01 -0.180438D+01 -0.772525D+00  0.147480D+01 -0.885321D+00
               491           492           493           494           495 
      1   0.144528D+01 -0.885321D+00 -0.502786D+01 -0.165621D+01  0.185053D+01
      2   0.140160D+01 -0.516291D+00 -0.165621D+01 -0.118263D+01  0.116423D+01
      3  -0.516291D+00  0.124371D+01  0.185053D+01  0.116423D+01 -0.383398D+01
               496           497           498           499           500 
      1   0.210930D+02  0.856816D+00 -0.463278D+01  0.381507D+01  0.220958D+01
      2   0.856816D+00  0.115442D+01 -0.482983D-01  0.220958D+01 -0.126972D+00
      3  -0.463278D+01 -0.482983D-01  0.249428D+01 -0.145224D+00 -0.519915D+00
               501           502           503           504           505 
      1  -0.145224D+00 -0.371636D+01 -0.603852D+00  0.229342D+01 -0.213245D-03
      2  -0.519915D+00 -0.603852D+00  0.748307D-01 -0.404277D-01 -0.432205D+00
      3  -0.962542D-01  0.229342D+01 -0.404277D-01 -0.109631D+01 -0.632555D+00
               506           507           508           509           510 
      1  -0.432205D+00 -0.632555D+00  0.980558D+00  0.362730D+00  0.819201D+00
      2  -0.720213D+00 -0.662003D+00  0.362730D+00 -0.162988D+01 -0.181450D+01
      3  -0.662003D+00 -0.202899D+01  0.819201D+00 -0.181450D+01 -0.316083D+01
               511           512           513           514           515 
      1   0.598351D+00  0.113239D+01  0.126522D+01 -0.133861D+01  0.943766D+00
      2   0.113239D+01 -0.160160D+01 -0.225527D+01  0.943766D+00 -0.113852D+01
      3   0.126522D+01 -0.225527D+01 -0.627412D+01 -0.753897D+00  0.142053D+01
               516           517           518           519           520 
      1  -0.753897D+00  0.293990D+01  0.100696D+01 -0.257342D+00  0.371113D+01
      2   0.142053D+01  0.100696D+01  0.157458D+01 -0.140873D+01  0.451859D-02
      3  -0.365820D+01 -0.257342D+00 -0.140873D+01  0.116216D+01  0.478430D-01
               521           522           523           524           525 
      1   0.451859D-02  0.478430D-01  0.113509D+02  0.451790D+01 -0.205053D+01
      2  -0.155755D+01  0.194978D+01  0.451790D+01  0.446175D+01 -0.104358D+01
      3   0.194978D+01 -0.489389D+01 -0.205053D+01 -0.104358D+01  0.131826D+01
               526           527           528           529           530 
      1   0.106929D+02  0.774597D+01 -0.281537D+01  0.382013D+01  0.140648D+01
      2   0.774597D+01  0.683763D+01 -0.222371D+01  0.140648D+01 -0.664689D+00
      3  -0.281537D+01 -0.222371D+01  0.179580D+01  0.768398D+00  0.944123D+00
               531           532           533           534           535 
      1   0.768398D+00  0.525709D+01 -0.440739D+01  0.119644D+01 -0.955216D+01
      2   0.944123D+00 -0.440739D+01  0.206316D+01 -0.316802D+00  0.390381D+01
      3  -0.698498D+00  0.119644D+01 -0.316802D+00  0.968407D+00 -0.210693D+00
               536           537           538           539           540 
      1   0.390381D+01 -0.210693D+00  0.274475D+01 -0.973697D+00  0.209412D+01
      2  -0.500932D+01  0.456296D+00 -0.973697D+00  0.678957D+00 -0.726012D+00
      3   0.456296D+00 -0.619032D+00  0.209412D+01 -0.726012D+00  0.527203D+00
               541           542           543           544           545 
      1   0.145689D+02  0.617038D+01  0.959621D+00 -0.587615D+01  0.389011D+01
      2   0.617038D+01  0.563786D+01  0.874401D+00  0.389011D+01  0.580688D+01
      3   0.959621D+00  0.874401D+00  0.793788D+00  0.804988D+00  0.543935D+00
               546           547           548           549           550 
      1   0.804988D+00 -0.357444D+01 -0.756352D-01  0.865072D+00  0.422644D+01
      2   0.543935D+00 -0.756352D-01 -0.180857D+00  0.904444D+00  0.145849D+01
      3   0.812693D+00  0.865072D+00  0.904444D+00  0.586565D+00 -0.958612D+00
               551           552           553           554           555 
      1   0.145849D+01 -0.958612D+00  0.152590D+01 -0.100046D+00 -0.159501D+00
      2  -0.334781D+01  0.797938D+00 -0.100046D+00  0.374001D+01 -0.122952D+01
      3   0.797938D+00 -0.156546D+01 -0.159501D+00 -0.122952D+01  0.799296D+00
               556           557           558           559           560 
      1  -0.113435D+01  0.615971D-03 -0.604063D+00  0.765082D+00  0.784650D+00
      2   0.615971D-03 -0.311170D+01  0.131303D+01  0.784650D+00 -0.105721D+01
      3  -0.604063D+00  0.131303D+01 -0.127111D+01  0.319625D+00 -0.614482D+00
               561           562           563           564           565 
      1   0.319625D+00 -0.994968D+00 -0.152657D+00 -0.732088D-02 -0.170546D+00
      2  -0.614482D+00 -0.152657D+00  0.350793D-01  0.667330D+00  0.233168D+00
      3  -0.223405D+01 -0.732088D-02  0.667330D+00  0.235539D+00 -0.464991D-01
               566           567 
      1   0.233168D+00 -0.464991D-01
      2   0.241024D+01  0.207314D+01
      3   0.207314D+01  0.618011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.702639D+01 -0.625954D+01 -0.251555D+01  0.101067D+02  0.172584D+01
      2  -0.171247D+02  0.119221D+01  0.167191D+02 -0.473402D+01  0.527030D+01
      3   0.792712D+02 -0.294955D+01 -0.106982D+00  0.152206D+02 -0.432167D+01
                 6             7             8             9            10 
      1  -0.439307D+01 -0.122138D+02  0.504371D+01 -0.741792D+01 -0.255387D+02
      2   0.208995D+02  0.804823D+01  0.208158D+02  0.817591D+01  0.652042D+01
      3  -0.513935D+01 -0.105943D+02  0.906699D+01 -0.221427D+02 -0.892663D+02
                11            12            13            14            15 
      1   0.575812D+01  0.245860D+01  0.174252D+02  0.292647D+01 -0.508539D+01
      2   0.258143D+01 -0.594563D+01 -0.147062D+02 -0.123258D+02 -0.213058D+02
      3   0.398071D+02 -0.109142D+02  0.355805D+03  0.169194D+02  0.699863D+01
                16            17            18            19            20 
      1   0.268319D+02  0.406403D+01  0.620170D+01  0.928800D+02 -0.541971D+01
      2  -0.247618D+02 -0.160229D+02 -0.351684D+00 -0.275048D+01  0.607876D+01
      3  -0.313491D+02 -0.108301D+02  0.123000D+02  0.146828D+03 -0.119893D+03
                21            22            23            24            25 
      1  -0.163423D+00  0.192165D+02  0.528900D+01 -0.253340D+01  0.420513D+02
      2   0.358331D+01  0.122157D+02  0.548864D+01  0.898676D+01 -0.222566D+03
      3   0.319221D+02  0.102736D+04 -0.821787D+02  0.261078D+00  0.168697D+03
                26            27            28            29            30 
      1   0.126981D+02 -0.465352D+01 -0.221978D+03 -0.105743D+02 -0.492176D+01
      2  -0.396018D+01  0.636489D+01  0.331235D+02  0.844202D+01 -0.484575D+01
      3  -0.780475D+01 -0.157459D+02  0.588033D+03 -0.122315D+03 -0.425231D+02
                31            32            33            34            35 
      1   0.132192D+03 -0.152025D+02  0.759122D+01  0.111991D+03  0.722833D+01
      2   0.737435D+02  0.425126D+01 -0.379734D+01 -0.494617D+02  0.223154D+01
      3  -0.876473D+03 -0.280798D+02 -0.106844D+03  0.281134D+01 -0.204831D+02
                36            37            38            39            40 
      1  -0.365305D+01  0.866211D+02  0.553833D+01  0.251115D+01  0.390291D+02
      2  -0.843467D+00 -0.190874D+02  0.602314D+01 -0.591803D+01 -0.607097D+02
      3  -0.334843D+02  0.360285D+03  0.461174D+02 -0.224599D+02  0.363959D+03
                41            42            43            44            45 
      1   0.134219D+02 -0.104049D+02 -0.101546D+03  0.606934D+01  0.101164D+00
      2  -0.118086D+02  0.999576D+01  0.180791D+03  0.101046D+02  0.399981D+01
      3   0.636807D+02  0.237302D+02 -0.569501D+01  0.193576D+02 -0.304955D+01
                46            47            48            49            50 
      1   0.214542D+02  0.467665D+01 -0.934821D+01  0.171185D+02 -0.837691D+01
      2  -0.435830D+02 -0.119111D+02  0.207754D+02 -0.366847D+02  0.652251D+00
      3  -0.343493D+02 -0.119238D+02  0.370654D+01 -0.862143D+02 -0.307348D+02
                51            52            53            54            55 
      1  -0.267968D+01 -0.683386D+01  0.259942D+01  0.465393D+01 -0.209143D+02
      2  -0.390935D+01 -0.430394D+01 -0.579616D+01  0.388649D+01  0.299194D+02
      3  -0.126458D+02 -0.752553D+02 -0.128897D+02  0.102603D+02 -0.193296D+02
                56            57            58            59            60 
      1   0.295593D+01 -0.424977D+01 -0.267227D+02 -0.505293D+01 -0.396454D+00
      2   0.306148D+00  0.220185D+02  0.737351D+02  0.220220D+02  0.160542D+02
      3  -0.188970D+02  0.115269D+02 -0.233653D+03 -0.369951D+02 -0.284160D+02
                61            62            63            64            65 
      1  -0.518749D+01  0.592489D+01  0.473242D+01  0.462216D+03  0.152603D+02
      2   0.311900D+01  0.116184D+02 -0.106124D+02 -0.209960D+03 -0.201864D+02
      3   0.508732D+02 -0.127856D+02 -0.490406D+01 -0.309598D+03  0.125293D+03
                66            67            68            69            70 
      1   0.807035D+01  0.968822D+02  0.675185D+01  0.528545D+01  0.263862D+03
      2   0.557800D+01 -0.221480D+03 -0.172182D+02 -0.814690D+00 -0.581762D+03
      3  -0.154494D+03 -0.109359D+04 -0.103976D+03 -0.142338D+02 -0.158799D+03
                71            72            73            74            75 
      1   0.132572D+02 -0.213931D+01 -0.186600D+00 -0.463844D-01 -0.131871D+01
      2  -0.307451D+02  0.216600D+00  0.189849D+00  0.405862D-01 -0.139520D+02
      3  -0.818716D+01 -0.418315D+00 -0.128942D+03 -0.303986D+02 -0.599964D-01
                76            77            78            79            80 
      1   0.432944D+01  0.206380D-01 -0.278225D+02 -0.181945D+03 -0.284357D+02
      2  -0.352924D+00 -0.124349D+00  0.127555D+02  0.120660D+04  0.323733D+02
      3   0.381617D+04  0.284913D+02 -0.105954D+01 -0.793425D+00  0.319437D+00
                81            82            83            84            85 
      1   0.334058D-01  0.429388D+03  0.120250D+02 -0.524369D+01 -0.181964D+03
      2  -0.219112D+00 -0.235275D+03 -0.243286D+02  0.101314D+02  0.590574D+02
      3  -0.422194D+01  0.120345D+04  0.845280D+02 -0.132320D+03 -0.985875D+03
                86            87            88            89            90 
      1  -0.599931D+00  0.445370D+01 -0.154576D+03  0.710865D+01 -0.584546D+00
      2   0.228364D+02 -0.360360D+01 -0.241831D+03  0.108102D+02  0.187810D+01
      3   0.337265D+02  0.249707D+02 -0.120494D+03  0.783177D+01 -0.163685D+01
                91            92            93            94            95 
      1  -0.244590D+03 -0.874825D+01  0.462357D+01 -0.141403D+03 -0.951183D+00
      2   0.109131D+03  0.133727D+02 -0.905549D+01  0.135489D+03 -0.132293D+02
      3  -0.187118D+04 -0.139089D+02 -0.415986D+02 -0.349343D+03  0.204293D+03
                96            97            98            99           100 
      1  -0.201143D+01 -0.113727D+03  0.123310D+02 -0.184880D+01  0.262365D+02
      2  -0.113057D+02  0.781196D+01 -0.201773D+02 -0.656405D+01 -0.101609D+02
      3   0.128784D+03  0.421692D+02  0.309913D+02  0.529775D+02 -0.181219D+03
               101           102           103           104           105 
      1   0.874863D+00 -0.297967D+01 -0.226156D+02  0.144355D+00  0.631754D+00
      2  -0.273933D+01 -0.400973D+01 -0.327282D+02  0.101806D+02 -0.510008D+00
      3   0.642356D+02 -0.694169D+01 -0.183406D+03 -0.146363D+03 -0.269028D+02
               106           107           108           109           110 
      1   0.506548D+02  0.103948D+02  0.401565D+01  0.240763D+02 -0.130549D+01
      2   0.862819D+02 -0.351455D+00 -0.232107D+01  0.894495D+01 -0.215971D+00
      3  -0.333586D+02 -0.109117D+02 -0.107791D+01  0.574062D+02 -0.412991D+02
               111           112           113           114           115 
      1   0.480889D+01 -0.254218D+02  0.590025D+01 -0.584406D+01  0.203260D+02
      2   0.575420D+01 -0.562847D+01  0.329585D+01 -0.318861D+01 -0.355160D+01
      3  -0.137395D+02  0.380491D+01  0.438167D+02  0.744607D+01  0.804633D+02
               116           117           118           119           120 
      1  -0.516698D+01  0.144084D+02 -0.232170D+02  0.433456D+01 -0.124111D+02
      2  -0.371501D+01  0.136795D+02  0.240196D+02  0.153514D+01  0.124196D+02
      3  -0.347619D+02 -0.844397D+01 -0.654424D+02 -0.300388D+02  0.508103D+01
               121           122           123           124           125 
      1  -0.501969D+01 -0.931050D+01  0.102207D+01 -0.601305D+01  0.105003D+02
      2  -0.907986D+00  0.668265D+01 -0.141299D+01  0.691360D+01 -0.774932D+00
      3   0.340984D+02 -0.280244D+01 -0.987059D+01  0.501065D+02 -0.995959D+01
               126           127           128           129           130 
      1   0.153987D+02  0.870881D+01 -0.478995D+01  0.659813D+01 -0.139166D+01
      2  -0.136810D+02  0.457327D+00  0.705436D+01 -0.159271D+02 -0.207480D+02
      3   0.169241D+02 -0.385634D+02  0.100829D+02 -0.149381D+02  0.160215D+03
               131           132           133           134           135 
      1   0.298787D+01 -0.187403D+01  0.655465D+01  0.346217D+01 -0.684516D+01
      2  -0.196555D+02 -0.220282D+02 -0.263035D+02 -0.237948D+02  0.151253D+02
      3   0.232700D+02  0.307934D+02 -0.331777D+02  0.194232D+02  0.156294D+02
               136           137           138           139           140 
      1   0.121490D+02 -0.286025D+01  0.728185D+01 -0.131822D+02 -0.263377D+00
      2  -0.177032D+02 -0.512698D+01 -0.213641D+01 -0.775330D+01 -0.167742D+02
      3  -0.316588D+02  0.156141D+01 -0.113485D+02  0.284468D+02  0.632582D+01
               141           142           143           144           145 
      1  -0.172684D+02  0.533203D+01 -0.724465D+01 -0.770880D+01 -0.462457D+03
      2  -0.156905D+02 -0.119444D+02 -0.129076D+02  0.102819D+02  0.209830D+03
      3   0.194320D+02  0.237598D+02  0.162749D+02  0.924589D+01 -0.298726D+03
               146           147           148           149           150 
      1  -0.151660D+02  0.851793D+01 -0.994985D+02 -0.700212D+01  0.537458D+01
      2   0.203130D+02  0.551000D+01  0.222249D+03  0.173221D+02 -0.858905D+00
      3   0.124994D+03  0.154775D+03 -0.109056D+04 -0.104059D+03  0.147611D+02
               151           152           153           154           155 
      1   0.264965D+03  0.133078D+02  0.205329D+01  0.223517D+03  0.105279D+02
      2  -0.582540D+03 -0.308259D+02 -0.431766D-01 -0.336858D+02 -0.857097D+01
      3   0.157137D+03  0.825858D+01 -0.815638D+00  0.591945D+03 -0.122371D+03
               156           157           158           159           160 
      1  -0.488686D+01 -0.132884D+03  0.151465D+02  0.779215D+01  0.112255D+03
      2  -0.484397D+01 -0.748255D+02 -0.425861D+01 -0.377485D+01 -0.489988D+02
      3   0.420779D+02 -0.869577D+03 -0.281907D+02  0.107216D+03 -0.325190D+01
               161           162           163           164           165 
      1   0.724690D+01  0.357421D+01 -0.861936D+02 -0.549027D+01  0.255597D+01
      2   0.224572D+01  0.842904D+00  0.191505D+02 -0.600406D+01 -0.589998D+01
      3   0.203905D+02 -0.335798D+02  0.360130D+03  0.460389D+02  0.223907D+02
               166           167           168           169           170 
      1  -0.387889D+02 -0.133660D+02 -0.103965D+02 -0.101907D+03  0.605839D+01
      2   0.611595D+02  0.118482D+02  0.993675D+01  0.181018D+03  0.100857D+02
      3   0.363340D+03  0.636554D+02 -0.237977D+02  0.609696D+01 -0.192371D+02
               171           172           173           174           175 
      1  -0.357343D-01  0.209352D+02 -0.295270D+01 -0.424148D+01  0.265195D+02
      2  -0.413181D+01 -0.299641D+02 -0.343276D+00  0.219627D+02 -0.739520D+02
      3  -0.287414D+01 -0.194296D+02 -0.189255D+02 -0.115132D+02 -0.233259D+03
               176           177           178           179           180 
      1   0.501367D+01 -0.415743D+00 -0.521034D+01  0.590001D+01 -0.474572D+01
      2  -0.220182D+02  0.161229D+02  0.297658D+01  0.116439D+02  0.106826D+02
      3  -0.369882D+02  0.284396D+02 -0.503329D+02  0.127854D+02 -0.496745D+01
               181           182           183           184           185 
      1   0.254307D+02 -0.573566D+01  0.246962D+01 -0.170003D+02 -0.289251D+01
      2  -0.642988D+01 -0.257373D+01 -0.591664D+01  0.147017D+02  0.122886D+02
      3  -0.891301D+02  0.397818D+02  0.109291D+02  0.355907D+03  0.169643D+02
               186           187           188           189           190 
      1  -0.506725D+01  0.266139D+02  0.409065D+01 -0.621421D+01 -0.926307D+02
      2  -0.213313D+02 -0.246821D+02 -0.160419D+02  0.306588D+00  0.301217D+01
      3  -0.705220D+01  0.308096D+02  0.110196D+02  0.123480D+02  0.143046D+03
               191           192           193           194           195 
      1   0.524034D+01 -0.207094D+00 -0.174661D+02 -0.538410D+01 -0.252226D+01
      2  -0.604517D+01  0.358642D+01 -0.119647D+02 -0.557321D+01  0.898388D+01
      3  -0.119870D+03 -0.319972D+02  0.102619D+04 -0.824004D+02 -0.771192D+00
               196           197           198           199           200 
      1   0.421504D+02  0.127257D+02  0.463914D+01  0.702099D+01  0.628999D+01
      2  -0.222806D+03 -0.397275D+01 -0.627583D+01  0.170358D+02 -0.120978D+01
      3  -0.168946D+03  0.754452D+01 -0.158130D+02  0.791107D+02 -0.287398D+01
               201           202           203           204           205 
      1  -0.254086D+01 -0.100968D+02 -0.172429D+01 -0.438843D+01 -0.121719D+02
      2   0.167140D+02  0.471053D+01 -0.524950D+01  0.209033D+02  0.805422D+01
      3   0.129104D+00  0.152515D+02 -0.432683D+01  0.509659D+01  0.106983D+02
               206           207           208           209           210 
      1   0.504614D+01  0.742912D+01 -0.215374D+02 -0.469417D+01 -0.932065D+01
      2   0.208184D+02 -0.813492D+01  0.435225D+02  0.118895D+02  0.207294D+02
      3  -0.909573D+01 -0.221448D+02 -0.340618D+02 -0.118845D+02 -0.368089D+01
               211           212           213           214           215 
      1  -0.172760D+02  0.834673D+01 -0.268719D+01 -0.674240D+01  0.258826D+01
      2   0.366865D+02 -0.667041D+00 -0.390437D+01 -0.427744D+01 -0.575765D+01
      3  -0.858680D+02 -0.306889D+02  0.127260D+02  0.749682D+02  0.128962D+02
               216           217           218           219           220 
      1  -0.470429D+01 -0.121185D+02  0.290339D+01  0.723454D+01  0.132728D+02
      2  -0.380483D+01  0.177501D+02  0.519138D+01 -0.208731D+01  0.779247D+01
      3   0.101895D+02 -0.314703D+02  0.160600D+01  0.112930D+02  0.286646D+02
               221           222           223           224           225 
      1   0.215876D+00 -0.172656D+02  0.524657D+01 -0.724127D+01  0.775825D+01
      2   0.167344D+02 -0.157140D+02 -0.118941D+02 -0.129281D+02 -0.102830D+02
      3   0.625671D+01 -0.194648D+02 -0.238959D+02 -0.162827D+02  0.933747D+01
               226           227           228           229           230 
      1  -0.873401D+01  0.477124D+01  0.658112D+01  0.148590D+01 -0.297173D+01
      2  -0.432047D+00 -0.700577D+01 -0.158584D+02  0.208895D+02  0.196219D+02
      3  -0.386236D+02  0.100921D+02  0.149090D+02  0.160017D+03  0.232608D+02
               231           232           233           234           235 
      1  -0.182870D+01  0.654539D+01  0.350571D+01  0.687179D+01  0.232226D+02
      2  -0.221031D+02 -0.262114D+02 -0.238547D+02 -0.151762D+02 -0.241080D+02
      3  -0.307569D+02  0.330504D+02 -0.193735D+02  0.157239D+02 -0.651506D+02
               236           237           238           239           240 
      1  -0.432469D+01 -0.123829D+02  0.509759D+01  0.931542D+01  0.975105D+00
      2  -0.156864D+01  0.123900D+02  0.879578D+00 -0.668461D+01 -0.137310D+01
      3  -0.300241D+02 -0.508901D+01  0.338328D+02 -0.281092D+01  0.984015D+01
               241           242           243           244           245 
      1  -0.601854D+01  0.104617D+02 -0.154614D+02  0.241491D+03  0.884113D+01
      2   0.683691D+01 -0.743368D+00  0.137268D+02 -0.109299D+03 -0.132913D+02
      3  -0.502172D+02  0.991782D+01  0.168760D+02 -0.186705D+04 -0.138578D+02
               246           247           248           249           250 
      1   0.462196D+01  0.140980D+03  0.117579D+01 -0.225564D+01 -0.113467D+03
      2  -0.902637D+01 -0.135475D+03  0.132036D+02 -0.112500D+02  0.753958D+01
      3   0.424405D+02 -0.356646D+03  0.204645D+03 -0.128578D+03 -0.411361D+02
               251           252           253           254           255 
      1   0.122941D+02  0.193032D+01 -0.266030D+02 -0.797944D+00 -0.295199D+01
      2  -0.201638D+02  0.655329D+01  0.101527D+02  0.272445D+01 -0.401615D+01
      3  -0.311519D+02  0.529743D+02 -0.180727D+03  0.643439D+02  0.700450D+01
               256           257           258           259           260 
      1   0.221847D+02 -0.264831D+00  0.655196D+00  0.503970D+02  0.104056D+02
      2   0.326368D+02 -0.101418D+02 -0.527484D+00  0.864331D+02 -0.338042D+00
      3  -0.182415D+03 -0.146459D+03  0.269903D+02  0.330041D+02  0.110738D+02
               261           262           263           264           265 
      1  -0.403467D+01 -0.239506D+02  0.127180D+01  0.483171D+01  0.253754D+02
      2   0.227111D+01 -0.900034D+01  0.221747D+00  0.576293D+01  0.570056D+01
      3  -0.103154D+01  0.579667D+02 -0.413814D+02  0.137042D+02  0.316151D+01
               266           267           268           269           270 
      1  -0.586687D+01 -0.586564D+01  0.201861D+02 -0.514223D+01 -0.144219D+02
      2  -0.329928D+01 -0.319276D+01 -0.351588D+01 -0.371938D+01 -0.136774D+02
      3   0.438510D+02 -0.742696D+01 -0.809777D+02  0.347694D+02 -0.840397D+01
               271           272           273           274           275 
      1  -0.427834D+03 -0.119974D+02 -0.483409D+01  0.179196D+03  0.757819D+00
      2   0.235661D+03  0.241948D+02  0.100347D+02 -0.590140D+02 -0.227589D+02
      3   0.121221D+04  0.842209D+02  0.131825D+03 -0.988906D+03  0.337693D+02
               276           277           278           279           280 
      1   0.432552D+01 -0.153717D+03  0.708166D+01  0.625909D+00  0.622927D+01
      2  -0.357651D+01 -0.241972D+03  0.107483D+02 -0.179245D+01  0.397081D+02
      3  -0.244276D+02  0.122624D+03 -0.804969D+01 -0.192817D+01  0.103217D+03
               281           282           283           284           285 
      1   0.807275D+00  0.354280D+01 -0.422864D+01  0.297916D+01 -0.602116D+00
      2  -0.342809D+01  0.662997D+01 -0.264499D+02  0.337871D+01 -0.993566D+00
      3  -0.473728D+02  0.819642D+01  0.226372D+01  0.216299D+02 -0.998679D+01
               286           287           288           289           290 
      1  -0.771780D-01 -0.152213D+01  0.108562D+02 -0.639645D+01 -0.101503D+01
      2   0.262814D+02 -0.302799D+01  0.115696D+02  0.323781D+01  0.301402D+01
      3   0.102466D+03 -0.269403D+02  0.496883D+01  0.138046D+03  0.162197D+02
               291           292           293           294           295 
      1  -0.413816D+01 -0.105115D+02 -0.181899D+01 -0.638304D+01 -0.643508D+00
      2  -0.315576D+00 -0.473981D+01  0.528890D+01 -0.102134D+01 -0.727485D+01
      3  -0.835986D+01  0.144440D+03  0.514255D+02 -0.792014D+01 -0.360815D+02
               296           297           298           299           300 
      1  -0.319318D+01  0.304014D+01  0.661380D+01  0.101332D+01 -0.413171D+01
      2  -0.408098D+01  0.266642D+01 -0.322811D+01 -0.301748D+01 -0.315926D+00
      3  -0.702568D+01  0.836026D+01  0.138387D+03  0.162357D+02  0.831496D+01
               301           302           303           304           305 
      1   0.107558D+02  0.183616D+01 -0.637695D+01 -0.595432D+00 -0.318925D+01
      2   0.478048D+01 -0.529390D+01 -0.102268D+01 -0.725684D+01 -0.407983D+01
      3   0.144683D+03  0.514170D+02  0.786889D+01  0.361802D+02  0.701879D+01
               306           307           308           309           310 
      1  -0.304289D+01 -0.614895D+01 -0.847553D+00  0.352479D+01  0.434181D+01
      2  -0.266541D+01 -0.396888D+02  0.344178D+01  0.664586D+01  0.264745D+02
      3   0.835359D+01  0.102675D+03 -0.473438D+02 -0.823646D+01  0.255112D+01
               311           312           313           314           315 
      1  -0.295717D+01 -0.592884D+00 -0.195404D+00 -0.150138D+01 -0.108354D+02
      2  -0.338527D+01 -0.100883D+01  0.262732D+02 -0.303423D+01 -0.115687D+02
      3   0.216543D+02  0.997988D+01 -0.101952D+03  0.268838D+02  0.500880D+01
               316           317           318           319           320 
      1  -0.549286D+01  0.530173D+01 -0.359176D+01  0.296707D+01  0.306570D+01
      2   0.232907D+01 -0.370772D+00  0.656703D+01  0.558001D+00  0.363478D+01
      3  -0.233487D+02 -0.213797D+02 -0.437028D+00 -0.134210D+01 -0.187337D+02
               321           322           323           324           325 
      1  -0.501972D+01 -0.695484D+01  0.353458D+00  0.198587D+00  0.112237D+01
      2   0.775330D+01  0.182547D+02  0.581986D+01  0.293049D+01  0.799378D+01
      3  -0.544551D+01 -0.392242D+02 -0.132445D+02 -0.154218D+01  0.493538D+00
               326           327           328           329           330 
      1   0.335446D+00  0.788022D+01 -0.237550D+01 -0.154782D+01 -0.199315D+01
      2  -0.847568D+01 -0.184142D+02  0.219291D+01  0.704686D+01  0.583280D+01
      3   0.954098D+01  0.102033D+02  0.115145D+02 -0.504501D+01 -0.690830D+01
               331           332           333           334           335 
      1   0.444495D+01 -0.302604D-02 -0.855431D+01 -0.218886D+01  0.396591D+01
      2  -0.923521D+01  0.968118D+01  0.250065D+02 -0.244083D+01 -0.378863D+00
      3   0.801868D+01 -0.588396D+01 -0.122734D+02 -0.891645D+01 -0.134694D+02
               336           337           338           339           340 
      1  -0.153026D+01  0.508687D+01  0.711271D+00 -0.134569D+01  0.276181D+01
      2   0.119039D+02 -0.144889D+01  0.808237D+00 -0.234917D+00  0.102413D+02
      3   0.240667D+00  0.154212D+02  0.145011D+01 -0.364384D+01  0.187620D+02
               341           342           343           344           345 
      1   0.539506D+00 -0.179008D+01 -0.166278D+01 -0.310260D+01  0.146295D+01
      2  -0.269412D+00  0.358248D+01  0.507591D+01  0.453363D+01 -0.118918D+02
      3   0.870213D+00 -0.434385D+00  0.654416D+00  0.427113D+01 -0.371574D+01
               346           347           348           349           350 
      1  -0.132201D+01 -0.595653D+01  0.315844D+01 -0.405225D+01  0.602275D+01
      2  -0.221440D+01  0.106266D+02 -0.174012D+02  0.162220D+01 -0.125467D+02
      3   0.442878D+01  0.123340D+02 -0.111168D+02 -0.116952D+02 -0.940222D+01
               351           352           353           354           355 
      1  -0.640882D+01 -0.813042D+00  0.477628D+00  0.264128D+01  0.725129D+01
      2   0.341097D+02 -0.699640D+01  0.139278D+01  0.650288D+01  0.230636D+01
      3   0.147187D+02 -0.531453D+02 -0.169590D+02 -0.342610D+01 -0.372039D+02
               356           357           358           359           360 
      1  -0.111301D+01 -0.251571D+01 -0.616915D+01  0.222207D+01 -0.160023D+01
      2  -0.211729D+01 -0.456751D+01  0.580666D+01 -0.355307D+01 -0.286910D+01
      3   0.301890D+02  0.251886D+00 -0.689512D+01  0.202778D+01  0.455056D+01
               361           362           363           364           365 
      1   0.760773D+01  0.384722D+01  0.461571D+00  0.316099D+01  0.341501D+01
      2  -0.182450D+02 -0.677044D+01 -0.948925D+01 -0.711460D+01 -0.660425D+01
      3   0.369654D+02  0.478864D+01 -0.395124D+01 -0.121126D+00  0.280743D+01
               366           367           368           369           370 
      1   0.636365D+00  0.635141D+00  0.234502D+01  0.119576D+01  0.137728D+01
      2  -0.302615D+01 -0.491064D+01 -0.147400D+01 -0.271726D+01 -0.468490D+01
      3   0.182997D+01 -0.518528D+01 -0.206506D+01  0.375537D+01  0.139553D+02
               371           372           373           374           375 
      1  -0.881135D+00 -0.789957D+00 -0.287440D+01 -0.121832D+02  0.424882D+01
      2   0.128797D+01  0.974436D+00 -0.299659D+01 -0.126410D+02  0.216041D+02
      3  -0.182972D+01 -0.184735D+01 -0.567982D+01 -0.180848D+02  0.133963D+02
               376           377           378           379           380 
      1   0.177798D+01  0.847264D+01 -0.435896D+01  0.820952D+01 -0.718214D+01
      2   0.396569D+01  0.109450D+02 -0.220809D+02 -0.419138D+01  0.141521D+01
      3  -0.386651D+01  0.104616D+02 -0.112567D+02  0.439702D+01 -0.117604D+02
               381           382           383           384           385 
      1  -0.517398D+01 -0.973298D+01  0.105592D+02  0.692382D+01 -0.597916D+01
      2   0.110306D+02  0.314827D+01 -0.697337D+01 -0.885362D+01  0.614913D+01
      3  -0.853440D+01  0.172586D+01  0.158680D+02  0.116993D+02  0.411987D+01
               386           387           388           389           390 
      1   0.648634D+01  0.512265D+01 -0.474190D+01 -0.163506D+01 -0.381916D+01
      2  -0.280852D+01 -0.970554D+01  0.136625D+02  0.600688D+01  0.131039D+02
      3   0.912175D+01  0.629887D+01  0.400740D+01 -0.511610D+01 -0.235433D+01
               391           392           393           394           395 
      1  -0.306145D+01 -0.149420D+01 -0.426498D+01 -0.371696D+01 -0.165119D+01
      2   0.570723D+01  0.455448D+01  0.105684D+02  0.123756D+02  0.902276D+01
      3  -0.124863D+02 -0.762586D+01 -0.281444D+01 -0.601367D+01 -0.849352D+01
               396           397           398           399           400 
      1  -0.101845D+02  0.938602D+01 -0.310280D+01 -0.255517D+01 -0.615524D+01
      2   0.331532D+02 -0.141019D+02  0.190681D+01  0.105651D+02  0.287570D+01
      3  -0.555062D+01 -0.803350D+01 -0.195519D+02 -0.704037D+01 -0.335967D+02
               401           402           403           404           405 
      1   0.462212D+01  0.188660D+01 -0.552349D+01  0.258443D+01  0.210827D+01
      2  -0.496835D+01 -0.823895D+01  0.118356D+02 -0.752831D+00 -0.745176D+01
      3   0.174090D+02  0.114195D+02 -0.798419D+01  0.968148D+01  0.575436D+01
               406           407           408           409           410 
      1   0.761242D+00 -0.410526D+00 -0.635410D+00 -0.634301D+00 -0.284793D+01
      2  -0.309414D+01 -0.654000D+00  0.296398D+01 -0.931242D+01 -0.168739D+02
      3   0.910890D+01 -0.244923D+01 -0.739291D+00 -0.195521D+02 -0.322138D+02
               411           412           413           414           415 
      1  -0.324441D+01 -0.220368D+01  0.170041D+01  0.268171D+01 -0.604324D+01
      2   0.183279D+02  0.126083D+02  0.155220D+02 -0.184451D+02  0.648865D+01
      3   0.173659D+02  0.460429D+01  0.205063D+02 -0.142039D+02  0.156491D+02
               416           417           418           419           420 
      1   0.539879D+01  0.793450D+01  0.301329D+01 -0.735508D+01 -0.589470D+01
      2  -0.339544D+00 -0.264492D+01  0.245830D+01  0.250483D+01  0.110246D+01
      3   0.209778D+02  0.748850D+01  0.487158D+02 -0.176266D+02 -0.736998D+01
               421           422           423           424           425 
      1   0.379603D+01 -0.541058D+01 -0.657894D+01 -0.391933D+01 -0.120916D+01
      2  -0.526783D+01  0.335589D+01  0.244408D+01  0.457849D+01 -0.126490D+00
      3   0.161224D+02 -0.154412D+02 -0.100387D+02 -0.345967D+01 -0.831997D+01
               426           427           428           429           430 
      1  -0.420461D+01  0.255993D+01 -0.262753D+01 -0.384695D+01 -0.465383D+01
      2   0.414224D+01 -0.407891D+01  0.280701D+00  0.340082D+01  0.512188D+01
      3   0.136415D+01 -0.310957D+02 -0.148121D+02  0.935285D+00  0.567858D+01
               431           432           433           434           435 
      1  -0.157905D+01  0.139839D+01  0.235540D+01 -0.881012D+00  0.821005D+01
      2   0.292976D+01 -0.173356D+01 -0.637449D+01  0.238454D+01 -0.768791D+01
      3  -0.141442D+01 -0.212021D+01  0.172869D+02  0.769040D+01 -0.703890D+01
               436           437           438           439           440 
      1   0.520050D+00  0.228548D+01 -0.387928D+00 -0.538130D+00 -0.175991D+01
      2  -0.169975D+01 -0.221175D+01  0.104316D+01 -0.282122D+01  0.758779D+01
      3   0.997709D+01  0.446256D+00  0.239556D+01 -0.132998D+02  0.104971D+02
               441           442           443           444           445 
      1   0.233472D+02 -0.137265D+01  0.849548D+00 -0.798902D+00  0.284325D+01
      2  -0.209477D+02  0.467932D+01 -0.131574D+01  0.927644D+00  0.296787D+01
      3  -0.151154D+02  0.139787D+02 -0.178411D+01  0.187147D+01 -0.563414D+01
               446           447           448           449           450 
      1   0.122099D+02  0.424559D+01  0.176862D+01  0.846817D+01  0.435330D+01
      2   0.126619D+02  0.216009D+02  0.392980D+01  0.109417D+02  0.220404D+02
      3  -0.181020D+02 -0.133855D+02  0.395727D+01 -0.104399D+02 -0.112332D+02
               451           452           453           454           455 
      1  -0.759314D+01 -0.384495D+01  0.449694D+00 -0.318268D+01 -0.341505D+01
      2   0.182394D+02  0.675629D+01 -0.944555D+01  0.711570D+01  0.660664D+01
      3   0.369589D+02  0.478958D+01  0.395300D+01 -0.358721D-01  0.280021D+01
               456           457           458           459           460 
      1   0.628953D+00  0.630127D+00  0.234316D+01 -0.119739D+01 -0.820890D+01
      2  -0.302447D+01 -0.487886D+01 -0.147092D+01  0.267975D+01  0.418998D+01
      3  -0.181472D+01  0.528263D+01  0.206665D+01  0.376631D+01  0.441709D+01
               461           462           463           464           465 
      1   0.716952D+01 -0.518554D+01  0.972633D+01 -0.105293D+02  0.693133D+01
      2  -0.142988D+01  0.110487D+02 -0.315229D+01  0.698601D+01 -0.885818D+01
      3  -0.117340D+02  0.854268D+01  0.181751D+01  0.158154D+02 -0.116961D+02
               466           467           468           469           470 
      1  -0.600665D+01  0.649949D+01 -0.514619D+01 -0.733539D+00  0.415173D+00
      2   0.616453D+01 -0.282053D+01  0.975912D+01  0.308526D+01  0.642911D+00
      3  -0.414900D+01 -0.913800D+01  0.632618D+01  0.914989D+01 -0.243082D+01
               471           472           473           474           475 
      1  -0.632577D+00  0.641667D+00  0.286811D+01 -0.322890D+01 -0.219707D+01
      2   0.296089D+01  0.930683D+01  0.168826D+02  0.183298D+02  0.126092D+02
      3   0.740236D+00 -0.195581D+02 -0.322220D+02 -0.173774D+02 -0.455721D+01
               476           477           478           479           480 
      1   0.171509D+01 -0.266957D+01 -0.943870D+01  0.310514D+01 -0.256493D+01
      2   0.155157D+02  0.184444D+02  0.141097D+02 -0.192343D+01  0.105693D+02
      3  -0.204990D+02 -0.141940D+02 -0.816002D+01 -0.195371D+02  0.707176D+01
               481           482           483           484           485 
      1   0.617743D+01 -0.464024D+01  0.190317D+01 -0.555067D+01  0.259990D+01
      2  -0.293333D+01  0.499252D+01 -0.827158D+01  0.118772D+02 -0.772253D+00
      3  -0.335656D+02  0.174280D+02 -0.114613D+02  0.796469D+01 -0.972061D+01
               486           487           488           489           490 
      1  -0.212322D+01  0.475582D+01  0.163571D+01 -0.382896D+01  0.305726D+01
      2   0.749920D+01 -0.137005D+02 -0.601118D+01  0.131520D+02 -0.571592D+01
      3   0.579196D+01  0.401782D+01 -0.513063D+01  0.235031D+01 -0.124935D+02
               491           492           493           494           495 
      1   0.148839D+01 -0.425015D+01 -0.371578D+01 -0.164202D+01  0.101619D+02
      2  -0.453515D+01  0.105348D+02  0.124132D+02  0.899224D+01 -0.331275D+02
      3  -0.760612D+01  0.279450D+01  0.601171D+01  0.847288D+01 -0.551274D+01
               496           497           498           499           500 
      1   0.216799D+01 -0.396259D+01 -0.152422D+01 -0.508669D+01 -0.698343D+00
      2   0.249071D+01  0.382677D+00  0.118984D+02  0.146367D+01 -0.804302D+00
      3  -0.883921D+01 -0.134653D+02 -0.252692D+00  0.154894D+02  0.145475D+01
               501           502           503           504           505 
      1  -0.134463D+01  0.276942D+01  0.525972D+00  0.178277D+01  0.166644D+01
      2  -0.237766D+00  0.102281D+02 -0.275105D+00 -0.355022D+01 -0.505493D+01
      3   0.362966D+01 -0.188273D+02 -0.884933D+00 -0.422919D+00  0.607050D+00
               506           507           508           509           510 
      1   0.309603D+01  0.145232D+01  0.132410D+01  0.595304D+01  0.315417D+01
      2  -0.452647D+01 -0.118679D+02  0.223015D+01 -0.106374D+02 -0.174079D+02
      3   0.427125D+01  0.370918D+01  0.447057D+01  0.123543D+02  0.111344D+02
               511           512           513           514           515 
      1  -0.405491D+01  0.602790D+01  0.639673D+01 -0.110855D+01 -0.332245D+00
      2   0.165478D+01 -0.125601D+02 -0.341297D+02 -0.795819D+01  0.847800D+01
      3   0.116844D+02  0.942368D+01  0.147387D+02  0.555989D+00  0.953575D+01
               516           517           518           519           520 
      1   0.787907D+01  0.239031D+01  0.155057D+01 -0.199804D+01  0.441477D+01
      2  -0.184283D+02 -0.219315D+01 -0.705288D+01  0.584941D+01 -0.923063D+01
      3  -0.101933D+02  0.114923D+02 -0.504046D+01  0.691066D+01 -0.793303D+01
               521           522           523           524           525 
      1  -0.751688D-02  0.857535D+01  0.544387D+01 -0.531692D+01 -0.359202D+01
      2   0.970193D+01 -0.250804D+02 -0.234708D+01  0.374453D+00  0.657281D+01
      3   0.589029D+01 -0.122761D+02 -0.234560D+02 -0.214049D+02  0.443687D+00
               526           527           528           529           530 
      1  -0.297052D+01 -0.307044D+01 -0.501518D+01 -0.687962D+01  0.358669D+00
      2  -0.534023D+00 -0.361432D+01  0.774938D+01  0.182533D+02  0.582106D+01
      3  -0.130991D+01 -0.186942D+02  0.542161D+01  0.393929D+02  0.132181D+02
               531           532           533           534           535 
      1  -0.197437D+00  0.723873D+00 -0.480487D+00  0.264514D+01 -0.727754D+01
      2  -0.292752D+01  0.700078D+01 -0.140169D+01  0.649563D+01 -0.231659D+01
      3  -0.156541D+01 -0.530807D+02 -0.169493D+02  0.346006D+01 -0.370754D+02
               536           537           538           539           540 
      1   0.110815D+01 -0.251433D+01 -0.615356D+01  0.222887D+01  0.160546D+01
      2   0.213309D+01 -0.457413D+01  0.583745D+01 -0.356380D+01  0.288757D+01
      3   0.302205D+02 -0.264822D+00  0.688246D+01 -0.205406D+01  0.456622D+01
               541           542           543           544           545 
      1   0.386890D+01  0.119318D+01 -0.420635D+01 -0.261031D+01  0.260463D+01
      2  -0.455005D+01  0.137902D+00  0.414438D+01  0.407622D+01 -0.273405D+00
      3  -0.344500D+01 -0.832314D+01 -0.134743D+01 -0.311831D+02 -0.147880D+02
               546           547           548           549           550 
      1  -0.384756D+01 -0.465539D+01 -0.158186D+01 -0.140127D+01  0.606865D+01
      2   0.340125D+01  0.511048D+01  0.293408D+01  0.173457D+01 -0.648005D+01
      3  -0.919893D+00 -0.569587D+01  0.140724D+01 -0.212233D+01  0.158045D+02
               551           552           553           554           555 
      1  -0.540056D+01  0.794180D+01 -0.294311D+01  0.737575D+01 -0.591679D+01
      2   0.362942D+00 -0.265640D+01 -0.244201D+01 -0.253055D+01  0.112016D+01
      3   0.209647D+02 -0.751244D+01  0.486462D+02 -0.176428D+02  0.738229D+01
               556           557           558           559           560 
      1   0.378439D+01 -0.543440D+01  0.661612D+01 -0.233244D+01  0.886200D+00
      2  -0.526608D+01  0.338072D+01 -0.247506D+01  0.638356D+01 -0.239079D+01
      3  -0.161123D+02  0.154846D+02 -0.100681D+02  0.173403D+02  0.771939D+01
               561           562           563           564           565 
      1   0.822987D+01 -0.507993D+00 -0.228680D+01 -0.404836D+00 -0.503467D+00
      2  -0.770265D+01  0.169783D+01  0.221850D+01  0.105835D+01 -0.283879D+01
      3   0.704966D+01  0.996342D+01  0.428396D+00 -0.241129D+01  0.133503D+02
               566           567 
      1  -0.176520D+01 -0.233109D+02
      2   0.758994D+01  0.209109D+02
      3  -0.105016D+02 -0.151307D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130825D+03 -0.123937D+02  0.312621D+02 -0.151570D+02  0.241922D+02
      2   0.771362D+02  0.157373D+02 -0.108357D+02  0.719675D+01 -0.138688D+02
      3   0.536884D+02 -0.334360D+01 -0.204265D+02  0.796026D+01 -0.103234D+02
      4  -0.260175D+02  0.127330D+02  0.528943D+01  0.181611D+02 -0.852231D+01
      5   0.548835D+02  0.798142D+01  0.113833D+02 -0.297846D+01  0.910091D+00
      6   0.137394D+01 -0.424978D+01 -0.221318D+01 -0.833705D+00  0.253141D+01
                 6             7             8             9            10 
      1   0.110355D+02 -0.311576D+01  0.681961D+01  0.232811D+02 -0.306208D+02
      2   0.403958D+01  0.732491D+01  0.586654D+01 -0.703784D+01  0.206713D+02
      3  -0.150750D+02 -0.420915D+01 -0.126861D+02 -0.162433D+02  0.994947D+01
      4   0.533765D+01 -0.760358D+01 -0.241099D+01  0.309673D+02  0.318302D+02
      5   0.311882D+02  0.265082D+02  0.313955D+02  0.298691D+00 -0.160360D+02
      6  -0.632155D+00  0.251063D+01  0.241296D+01 -0.112407D+02 -0.111254D+02
                11            12            13            14            15 
      1   0.809812D+01 -0.761063D+01  0.104492D+02 -0.413705D+02  0.103122D+02
      2  -0.425131D+00  0.434542D+01  0.822922D+01  0.240041D+02 -0.847119D+01
      3  -0.767299D+01  0.326521D+01 -0.186784D+02  0.173664D+02 -0.184102D+01
      4  -0.344807D+02  0.824689D+01 -0.127059D+03  0.528539D+01 -0.210529D+02
      5   0.109983D+02 -0.190828D+02  0.285538D+02 -0.183873D+02 -0.419050D+02
      6   0.228406D+01 -0.152056D+01  0.733457D+01  0.451017D+00 -0.887729D+01
                16            17            18            19            20 
      1  -0.110837D+02  0.784174D+01 -0.317326D+02  0.156926D+03  0.591840D+02
      2   0.892218D-01 -0.748198D+01  0.215583D+02 -0.663855D+02 -0.457417D+02
      3   0.109944D+02 -0.359757D+00  0.101743D+02 -0.905405D+02 -0.134422D+02
      4   0.117569D+02 -0.132196D+02 -0.251982D+02  0.300229D+02  0.918098D+02
      5  -0.642465D+02 -0.292700D+02  0.275809D+01  0.185501D+02  0.275806D+01
      6  -0.987843D+01 -0.601302D+01  0.234943D+00  0.837563D+02 -0.325476D+01
                21            22            23            24            25 
      1   0.161226D+00  0.464026D+01  0.256719D+02 -0.316701D+00 -0.223928D+02
      2  -0.669652D+00 -0.362244D+01 -0.618467D+01  0.176359D+01  0.149595D+02
      3   0.508426D+00 -0.101782D+01 -0.194873D+02 -0.144689D+01  0.743329D+01
      4   0.121382D+01 -0.879977D+01  0.693178D+02  0.104747D+02 -0.212700D+02
      5   0.142762D+02  0.236210D+02  0.102919D+02  0.139988D+02  0.510410D+02
      6  -0.144756D+01  0.348385D+02  0.104653D+02  0.416811D+01  0.132431D+02
                26            27            28            29            30 
      1   0.443014D+00  0.184221D+02 -0.283950D+03  0.776561D+01  0.102402D+02
      2  -0.854321D-02 -0.190686D+02  0.792473D+02 -0.167313D+02 -0.743127D+01
      3  -0.434471D+00  0.646527D+00  0.204703D+03  0.896566D+01 -0.280896D+01
      4   0.106262D+02  0.998462D+01 -0.311394D+03  0.181137D+02  0.128347D+02
      5   0.141992D+02  0.688946D+01 -0.919687D+02 -0.115406D+02 -0.166796D+02
      6   0.936479D+01  0.919870D+00 -0.241405D+03 -0.152757D+02 -0.703737D+01
                31            32            33            34            35 
      1  -0.269984D+02  0.398867D+02  0.406900D+01 -0.333661D+02 -0.700162D+01
      2   0.131922D+02 -0.435849D+02 -0.193559D+01  0.180907D+02 -0.793125D+00
      3   0.138062D+02  0.369820D+01 -0.213341D+01  0.152755D+02  0.779475D+01
      4  -0.796387D+02  0.275299D+02  0.259413D+02 -0.617677D+02 -0.170063D+00
      5  -0.365324D+02 -0.486241D+01  0.218975D+01  0.447570D+02  0.192707D+02
      6   0.563439D+02 -0.206228D+02 -0.634217D+01  0.424858D+02  0.383141D+01
                36            37            38            39            40 
      1   0.759824D+01  0.421973D+02  0.116610D+02 -0.144939D+02  0.160659D+03
      2  -0.150005D+02  0.366175D+02  0.549006D+01  0.126796D+02 -0.611217D+02
      3   0.740224D+01 -0.788148D+02 -0.171511D+02  0.181437D+01 -0.995371D+02
      4   0.213487D+02  0.802705D+02  0.116762D+02  0.111690D+02  0.138401D+03
      5   0.783532D+01  0.327249D+02  0.221206D+02 -0.258360D+02  0.726710D+02
      6  -0.343302D+01  0.103068D+03  0.149974D+02 -0.640176D+01  0.501681D+02
                41            42            43            44            45 
      1   0.170529D+02  0.246147D+02 -0.816043D+01  0.271648D+02 -0.428413D+02
      2   0.100211D+01 -0.201507D+02  0.606431D+01 -0.234102D+02  0.310653D+02
      3  -0.180550D+02 -0.446397D+01  0.209612D+01 -0.375463D+01  0.117761D+02
      4   0.129597D+02 -0.143073D+02  0.511419D+02  0.921710D+01 -0.204251D+02
      5  -0.771477D+01  0.206098D+02 -0.702086D+02 -0.184700D+02  0.162283D+02
      6   0.435452D+01  0.649570D+01 -0.482238D+02 -0.562719D+01  0.133271D+02
                46            47            48            49            50 
      1  -0.177381D+02 -0.252856D+02  0.279881D+02 -0.625775D+02 -0.389708D+02
      2  -0.104329D+02 -0.487468D+01 -0.621991D+01  0.161343D+02  0.154530D+02
      3   0.281710D+02  0.301603D+02 -0.217682D+02  0.464432D+02  0.235179D+02
      4  -0.676719D+02 -0.513262D+02  0.884561D+01 -0.902156D+02 -0.257471D+02
      5   0.243187D+02  0.766224D+01  0.179154D+02  0.250503D+02  0.283586D+02
      6   0.177403D+02  0.858144D+01  0.147000D+02  0.222213D+02  0.123046D+02
                51            52            53            54            55 
      1  -0.238405D+01 -0.914901D+01 -0.207734D+02  0.415250D+02 -0.193330D+02
      2   0.321328D+01  0.120100D+02  0.132590D+02 -0.273832D+02 -0.128346D+02
      3  -0.829230D+00 -0.286096D+01  0.751445D+01 -0.141418D+02  0.321676D+02
      4   0.238234D+02 -0.156088D+02 -0.624141D+01  0.895415D+01 -0.616109D+02
      5  -0.754706D+01  0.390889D+02  0.371816D+01 -0.209073D+02  0.160353D+02
      6  -0.845548D+01  0.152887D+02 -0.498785D+01 -0.313587D+01 -0.108073D+02
                56            57            58            59            60 
      1  -0.586431D+02  0.121930D+02 -0.139236D+03  0.432189D+01 -0.278173D+02
      2   0.362736D+02 -0.183756D+02  0.729472D+02 -0.114133D+02  0.145764D+02
      3   0.223695D+02  0.618255D+01  0.662886D+02  0.709141D+01  0.132409D+02
      4  -0.366408D+01 -0.131088D+02  0.386416D+01  0.939033D+01  0.279351D+02
      5  -0.221738D+02  0.434659D+02 -0.541548D+02  0.256449D+02  0.233881D+02
      6  -0.184064D+01  0.444425D+01 -0.162989D+02 -0.345100D+00  0.136149D+02
                61            62            63            64            65 
      1   0.714462D+02 -0.197881D+02  0.492223D+02  0.224482D+03  0.113106D+02
      2  -0.447080D+02  0.142272D+02 -0.225340D+02 -0.560778D+02 -0.130066D+01
      3  -0.267382D+02  0.556091D+01 -0.266883D+02 -0.168404D+03 -0.100099D+02
      4   0.886944D+01  0.305198D+02  0.313924D+02  0.137857D+03 -0.306071D+02
      5   0.798741D+02  0.247625D+02  0.209022D+01  0.165297D+03  0.646270D+01
      6   0.238465D+02  0.116830D+02  0.580644D+01  0.414834D+03  0.176396D+02
                66            67            68            69            70 
      1   0.975394D+01  0.121765D+03 -0.745073D+01  0.230854D+01  0.240946D+02
      2  -0.673129D+01 -0.806331D+02  0.143411D+02 -0.180203D+01 -0.210642D+02
      3  -0.302265D+01 -0.411317D+02 -0.689034D+01 -0.506509D+00 -0.303039D+01
      4   0.275521D+02  0.492207D+03  0.514794D+02  0.659325D+01  0.541100D+02
      5   0.155253D+02  0.418613D+02  0.774791D+01  0.969685D+01  0.509365D+02
      6   0.184543D+01  0.409101D+02  0.910485D+01  0.155776D+02  0.104053D+03
                71            72            73            74            75 
      1   0.428569D+01 -0.273518D+01 -0.156673D+03  0.304742D+01  0.264515D-01
      2  -0.281354D+01  0.172224D+01 -0.202013D+02 -0.643113D+01 -0.426759D-02
      3  -0.147214D+01  0.101294D+01  0.176875D+03  0.338371D+01 -0.221839D-01
      4   0.235840D+01  0.482149D+01 -0.300363D+02 -0.141908D+02  0.262383D-01
      5   0.479235D+01  0.132217D+01  0.877310D-01  0.205026D-02 -0.211231D+02
      6   0.103116D+02  0.367664D+01  0.794850D-01  0.138861D-01 -0.583887D+01
                76            77            78            79            80 
      1  -0.413842D+03 -0.169932D+02  0.851971D-01 -0.105896D+00 -0.230216D-01
      2   0.246465D+03  0.567713D+01 -0.417162D-01  0.187879D+00  0.196761D-01
      3   0.167377D+03  0.113161D+02 -0.434809D-01 -0.819832D-01  0.334556D-02
      4  -0.120949D+04 -0.283718D+01  0.312641D+00  0.271332D+00 -0.185719D-01
      5   0.141848D-01  0.202777D-01 -0.475238D+01 -0.669690D+02  0.439428D-01
      6  -0.665460D+00  0.128048D-01 -0.232967D+02 -0.652561D+02  0.291722D+00
                81            82            83            84            85 
      1  -0.342562D+02  0.729091D+02 -0.634657D+02 -0.927281D+00  0.151946D+03
      2  -0.165569D+01  0.378679D+02  0.541026D+02  0.313094D+01 -0.104616D+03
      3   0.359119D+02 -0.110777D+03  0.936312D+01 -0.220366D+01 -0.473298D+02
      4  -0.867370D-01 -0.157929D+03 -0.122124D+02  0.244779D+02  0.390142D+03
      5   0.322859D-01  0.955433D+02  0.420155D+01  0.205441D+02 -0.218241D+02
      6   0.199088D-01  0.374088D+03  0.101748D+02  0.944230D+01 -0.119693D+03
                86            87            88            89            90 
      1  -0.163886D+02 -0.267151D+01  0.548604D+01  0.115783D+01 -0.771606D+01
      2   0.181114D+02  0.677585D+00  0.290978D+01 -0.303772D+01  0.505796D+01
      3  -0.172283D+01  0.199392D+01 -0.839582D+01  0.187989D+01  0.265811D+01
      4  -0.174905D+02 -0.605245D+01  0.403575D+02 -0.856543D+00 -0.154489D+01
      5  -0.327233D+01 -0.872326D+00  0.307474D+00 -0.529509D+00  0.123492D+01
      6   0.603524D+01  0.122292D+02 -0.663387D+02  0.890586D+01  0.447206D+01
                91            92            93            94            95 
      1  -0.203522D+02  0.208525D+02  0.819424D+01 -0.109283D+03 -0.911570D+02
      2  -0.748597D+02 -0.197252D+02 -0.566709D+01  0.114967D+03  0.671764D+02
      3   0.952118D+02 -0.112734D+01 -0.252715D+01 -0.568421D+01  0.239807D+02
      4   0.353243D+03 -0.366812D+02  0.899226D+01 -0.221202D+03 -0.144614D+03
      5  -0.782926D+02 -0.645351D+01 -0.226574D+02 -0.623150D+02 -0.140275D+02
      6  -0.258384D+03 -0.105075D+02 -0.988943D+00 -0.603874D+02 -0.708360D+01
                96            97            98            99           100 
      1  -0.215312D+02 -0.993699D+01 -0.130410D+02 -0.253946D+02 -0.542931D+01
      2   0.156230D+02  0.964418D+01  0.670903D+01  0.124824D+02  0.383781D+02
      3   0.590826D+01  0.292811D+00  0.633194D+01  0.129122D+02 -0.329487D+02
      4  -0.450430D+02 -0.588669D+02 -0.167316D+02 -0.333389D+02 -0.271402D+02
      5  -0.242594D+02 -0.572609D+01 -0.231685D+02 -0.113077D+02 -0.587804D+00
      6  -0.188895D+01 -0.367253D+02  0.117044D+02  0.271383D+01  0.405354D+02
               101           102           103           104           105 
      1  -0.266652D+02 -0.107492D+01  0.271241D+02  0.511468D+02  0.130812D+02
      2   0.189896D+02 -0.728887D+00 -0.942628D+02 -0.421741D+02 -0.868319D+01
      3   0.767554D+01  0.180381D+01  0.671388D+02 -0.897266D+01 -0.439804D+01
      4  -0.449813D+02 -0.497302D+01  0.181906D+03  0.304598D+02  0.757894D+01
      5  -0.325813D+01 -0.163984D+02  0.263997D+02  0.187780D+01 -0.793513D+00
      6  -0.554578D+01  0.109046D+02 -0.452627D+02  0.722677D+01 -0.771219D+01
               106           107           108           109           110 
      1   0.112882D+02  0.220049D+00 -0.349823D+01  0.224411D+02  0.119689D+02
      2  -0.170473D+02  0.503051D+01 -0.170870D+01 -0.149584D+02 -0.193982D+02
      3   0.575907D+01 -0.525056D+01  0.520693D+01 -0.748268D+01  0.742932D+01
      4   0.339687D+02 -0.120404D+02  0.151104D+02 -0.217422D+02  0.433531D+02
      5  -0.107221D+02  0.117149D+02 -0.780344D+00  0.225797D+02 -0.265167D+01
      6   0.210828D+02 -0.143154D+02 -0.275950D+00 -0.109365D+02  0.366173D+01
               111           112           113           114           115 
      1   0.122333D+02  0.487605D+01 -0.193578D+02  0.179739D+01  0.378304D+01
      2  -0.681170D+01 -0.393943D+01  0.311593D+02 -0.695546D+01 -0.786809D+01
      3  -0.542163D+01 -0.936620D+00 -0.118015D+02  0.515807D+01  0.408505D+01
      4  -0.574267D+01  0.758109D+01 -0.416264D+02  0.706030D+01 -0.216447D+02
      5   0.129277D+02 -0.135345D+02  0.808247D+01 -0.646219D+01  0.308005D+02
      6  -0.878131D+01  0.383996D+01 -0.121975D+02  0.110099D+02 -0.210585D+02
               116           117           118           119           120 
      1   0.196165D+02  0.420185D+00 -0.697592D+01 -0.319382D+02  0.654633D+01
      2  -0.245149D+02  0.687992D+00 -0.353167D+02  0.536738D+01 -0.204994D+02
      3   0.489843D+01 -0.110818D+01  0.422926D+02  0.265709D+02  0.139530D+02
      4   0.393626D+02 -0.162283D+02 -0.555592D+02 -0.419667D+02 -0.717054D+01
      5  -0.142234D+02  0.303161D+02 -0.787601D+01 -0.157764D+02  0.222709D+02
      6   0.208485D+02 -0.281224D+02 -0.166053D+02 -0.156247D+02  0.183187D+02
               121           122           123           124           125 
      1  -0.258138D+02 -0.173783D+02 -0.210434D+02  0.618139D+01 -0.191070D+02
      2  -0.261650D+01  0.164313D+01  0.210746D+02 -0.116816D+02  0.248373D+02
      3   0.284303D+02  0.157352D+02 -0.312008D-01  0.550020D+01 -0.573030D+01
      4  -0.628011D+02 -0.205858D+02 -0.601967D-01 -0.166261D+02 -0.865907D+00
      5  -0.179203D+02  0.571319D+01 -0.642869D+01  0.189459D+02 -0.370765D+01
      6  -0.148152D+02  0.121801D+02 -0.248858D+01  0.149639D+02 -0.516679D+01
               126           127           128           129           130 
      1   0.329151D+02 -0.602649D+01  0.583082D+02 -0.887046D+01  0.136186D+03
      2  -0.109633D+02  0.175171D+02 -0.365138D+02  0.140391D+02 -0.827901D+02
      3  -0.219518D+02 -0.114906D+02 -0.217943D+02 -0.516867D+01 -0.533956D+02
      4   0.109587D+02  0.659239D+02 -0.370468D+01  0.220107D+02 -0.339183D+02
      5  -0.184698D+02 -0.170722D+02  0.262909D+02 -0.334561D+02  0.501623D+02
      6  -0.240120D+02  0.106459D+02  0.580411D+00 -0.295501D+01 -0.683848D-01
               131           132           133           134           135 
      1  -0.146063D+02  0.412529D+02 -0.268727D+02  0.302160D+02 -0.420557D+02
      2   0.861357D+01 -0.248782D+02  0.209548D+02 -0.182311D+02  0.985041D+01
      3   0.599273D+01 -0.163746D+02  0.591788D+01 -0.119849D+02  0.322053D+02
      4  -0.244476D+02 -0.356901D+02  0.118315D+02 -0.336913D+02 -0.429330D+02
      5  -0.372547D+02 -0.278129D+02 -0.591760D+02 -0.344936D+02  0.110367D+02
      6  -0.123349D+02 -0.190785D+02 -0.148918D+02 -0.187538D+02 -0.354692D+01
               136           137           138           139           140 
      1   0.369652D+02  0.357189D+02 -0.825634D+01  0.551054D+02  0.437601D+00
      2  -0.863183D+01 -0.256830D+02  0.122910D+02 -0.361403D+02  0.138901D+02
      3  -0.283334D+02 -0.100360D+02 -0.403464D+01 -0.189652D+02 -0.143277D+02
      4   0.460602D+02 -0.481162D+01  0.187116D+02 -0.241919D+02 -0.657710D+01
      5  -0.293316D+01  0.314793D+02 -0.272797D+02  0.349180D+02 -0.415159D+02
      6   0.165960D+02 -0.499098D+01  0.581650D+01 -0.209752D+02 -0.956593D+01
               141           142           143           144           145 
      1   0.318345D+02 -0.994182D+01  0.252975D+02 -0.251500D+02  0.224076D+03
      2  -0.120513D+02  0.173140D+02 -0.684994D+01  0.624259D+01 -0.553672D+02
      3  -0.197832D+02 -0.737215D+01 -0.184476D+02  0.189075D+02 -0.168709D+03
      4  -0.379742D+02  0.896946D+01 -0.261247D+02 -0.193552D+02  0.136382D+03
      5  -0.946451D+01 -0.366767D+02 -0.125126D+02 -0.700486D+01 -0.165482D+03
      6  -0.303157D+02  0.424418D+00 -0.208313D+02 -0.120579D+02 -0.414685D+03
               146           147           148           149           150 
      1   0.112496D+02 -0.987511D+01  0.121641D+03 -0.745859D+01 -0.232680D+01
      2  -0.125013D+01  0.675957D+01 -0.805181D+02  0.143396D+02  0.181420D+01
      3  -0.999951D+01  0.311555D+01 -0.411232D+02 -0.688097D+01  0.512601D+00
      4  -0.305629D+02 -0.276316D+02  0.492035D+03  0.514648D+02 -0.680334D+01
      5  -0.647444D+01  0.155654D+02 -0.418475D+02 -0.777740D+01  0.970857D+01
      6  -0.176579D+02  0.193341D+01 -0.404813D+02 -0.914445D+01  0.155896D+02
               151           152           153           154           155 
      1  -0.236704D+02 -0.425865D+01 -0.271119D+01 -0.284610D+03  0.777304D+01
      2   0.207734D+02  0.280626D+01  0.170023D+01  0.793616D+02 -0.167459D+02
      3   0.289699D+01  0.145240D+01  0.101096D+01  0.205248D+03  0.897284D+01
      4  -0.538512D+02 -0.241370D+01  0.490996D+01 -0.312776D+03  0.181340D+02
      5   0.511008D+02  0.478914D+01 -0.134910D+01  0.920753D+02  0.115518D+02
      6   0.104346D+03  0.103175D+02 -0.373271D+01  0.241170D+03  0.152915D+02
               156           157           158           159           160 
      1  -0.101076D+02 -0.274298D+02  0.398767D+02 -0.403493D+01  0.333772D+02
      2   0.739921D+01  0.135776D+02 -0.436042D+02  0.190674D+01 -0.181775D+02
      3   0.270839D+01  0.138522D+02  0.372748D+01  0.212819D+01 -0.151997D+02
      4  -0.126826D+02 -0.812278D+02  0.276076D+02 -0.258940D+02  0.619743D+02
      5  -0.167012D+02  0.366387D+02  0.488464D+01  0.219265D+01  0.447797D+02
      6  -0.710392D+01 -0.559028D+02  0.206256D+02 -0.633720D+01  0.426595D+02
               161           162           163           164           165 
      1   0.699256D+01  0.757948D+01  0.421655D+02  0.116865D+02  0.145171D+02
      2   0.813702D+00 -0.149880D+02  0.367111D+02  0.548550D+01 -0.126976D+02
      3  -0.780626D+01  0.740855D+01 -0.788766D+02 -0.171720D+02 -0.181946D+01
      4   0.178713D+00  0.213766D+02  0.805036D+02  0.117004D+02 -0.111722D+02
      5   0.193145D+02 -0.787770D+01 -0.326540D+02 -0.220954D+02 -0.257625D+02
      6   0.385223D+01  0.342143D+01 -0.103132D+03 -0.149951D+02 -0.635021D+01
               166           167           168           169           170 
      1   0.160697D+03  0.170082D+02 -0.246245D+02  0.805054D+01 -0.271432D+02
      2  -0.610314D+02  0.105220D+01  0.201304D+02 -0.590659D+01  0.234073D+02
      3  -0.996654D+02 -0.180604D+02  0.449404D+01 -0.214395D+01  0.373589D+01
      4   0.138782D+03  0.129584D+02  0.142500D+02 -0.513172D+02 -0.930589D+01
      5  -0.727086D+02  0.768839D+01  0.205166D+02 -0.701001D+02 -0.185267D+02
      6  -0.503670D+02 -0.437693D+01  0.648342D+01 -0.483292D+02 -0.568706D+01
               171           172           173           174           175 
      1  -0.427105D+02 -0.190266D+02 -0.587025D+02 -0.123547D+02 -0.139254D+03
      2   0.309600D+02 -0.130270D+02  0.362858D+02  0.184156D+02  0.728911D+02
      3   0.117504D+02  0.320536D+02  0.224168D+02 -0.606096D+01  0.663629D+02
      4  -0.204892D+02 -0.615951D+02 -0.367575D+01  0.130315D+02  0.375640D+01
      5  -0.163587D+02 -0.162153D+02  0.220960D+02  0.434014D+02  0.539809D+02
      6  -0.133857D+02  0.107824D+02  0.181735D+01  0.444302D+01  0.163514D+02
               176           177           178           179           180 
      1   0.433523D+01  0.276926D+02 -0.715709D+02  0.197036D+02  0.491180D+02
      2  -0.114044D+02 -0.144692D+02  0.446915D+02 -0.141612D+02 -0.224075D+02
      3   0.706917D+01 -0.132234D+02  0.268794D+02 -0.554239D+01 -0.267105D+02
      4   0.939888D+01 -0.279091D+02 -0.903767D+01 -0.304946D+02  0.314768D+02
      5  -0.256148D+02  0.235396D+02  0.797006D+02  0.248553D+02 -0.191046D+01
      6   0.360065D+00  0.136221D+02  0.238425D+02  0.116903D+02 -0.578647D+01
               181           182           183           184           185 
      1  -0.306609D+02  0.819373D+01  0.768883D+01  0.106010D+02 -0.413963D+02
      2   0.206641D+02 -0.476413D+00 -0.439412D+01  0.815581D+01  0.240274D+02
      3   0.999686D+01 -0.771731D+01 -0.329471D+01 -0.187568D+02  0.173689D+02
      4   0.319170D+02 -0.344857D+02 -0.821733D+01 -0.127069D+03  0.521844D+01
      5   0.161439D+02 -0.109588D+02 -0.190284D+02 -0.284732D+02  0.182906D+02
      6   0.111727D+02 -0.228843D+01 -0.151885D+01 -0.747867D+01 -0.447030D+00
               186           187           188           189           190 
      1  -0.102374D+02  0.111837D+02 -0.782828D+01 -0.316832D+02  0.156872D+03
      2   0.844254D+01 -0.126490D+00  0.750471D+01  0.215348D+02 -0.662855D+02
      3   0.179484D+01 -0.110572D+02  0.323572D+00  0.101484D+02 -0.905862D+02
      4   0.209930D+02 -0.115860D+02  0.131215D+02 -0.252415D+02  0.305538D+02
      5  -0.419471D+02 -0.641511D+02 -0.293151D+02 -0.283568D+01 -0.185508D+02
      6  -0.888205D+01 -0.991258D+01 -0.601417D+01 -0.256629D+00 -0.838082D+02
               191           192           193           194           195 
      1   0.591344D+02 -0.173042D+00  0.439541D+01  0.257005D+02  0.336332D+00
      2  -0.457288D+02  0.676922D+00 -0.353674D+01 -0.620972D+01 -0.177166D+01
      3  -0.134055D+02 -0.503879D+00 -0.858660D+00 -0.194908D+02  0.143533D+01
      4   0.918283D+02 -0.118911D+01 -0.869922D+01  0.694143D+02 -0.104313D+02
      5  -0.274587D+01  0.142857D+02 -0.236353D+02 -0.102683D+02  0.140173D+02
      6   0.325332D+01 -0.141499D+01 -0.352509D+02 -0.104659D+02  0.418844D+01
               196           197           198           199           200 
      1   0.225736D+02 -0.356126D+00  0.184310D+02 -0.130624D+03 -0.124894D+02
      2  -0.150615D+02 -0.690865D-01 -0.190706D+02  0.770857D+02  0.158225D+02
      3  -0.751208D+01  0.425213D+00  0.639534D+00  0.535381D+02 -0.333317D+01
      4   0.213188D+02 -0.105051D+02  0.100035D+02 -0.260762D+02  0.126924D+02
      5   0.510918D+02  0.142109D+02 -0.688907D+01 -0.551114D+02 -0.806570D+01
      6   0.134195D+02  0.938926D+01 -0.921652D+00 -0.146143D+01  0.425064D+01
               201           202           203           204           205 
      1  -0.314244D+02 -0.152860D+02  0.241753D+02 -0.111246D+02  0.281009D+01
      2   0.109305D+02  0.730670D+01 -0.138685D+02 -0.399596D+01 -0.715215D+01
      3   0.204939D+02  0.797933D+01 -0.103068D+02  0.151206D+02  0.434206D+01
      4  -0.535627D+01  0.181397D+02 -0.848142D+01 -0.529308D+01  0.751151D+01
      5   0.112671D+02  0.287035D+01 -0.856109D+00  0.311502D+02  0.263595D+02
      6  -0.222685D+01  0.839582D+00 -0.252550D+01 -0.610005D+00  0.250138D+01
               206           207           208           209           210 
      1  -0.689410D+01  0.231968D+02 -0.177023D+02 -0.252327D+02 -0.280184D+02
      2  -0.582641D+01 -0.700465D+01 -0.104199D+02 -0.491254D+01  0.626267D+01
      3   0.127205D+02 -0.161921D+02  0.281223D+02  0.301452D+02  0.217557D+02
      4   0.245685D+01  0.309547D+02 -0.677868D+02 -0.513722D+02 -0.889081D+01
      5   0.313665D+02 -0.240408D+00 -0.243782D+02 -0.768811D+01  0.178150D+02
      6   0.243205D+01  0.112460D+02 -0.177862D+02 -0.860802D+01  0.146666D+02
               211           212           213           214           215 
      1  -0.625423D+02 -0.389208D+02  0.240859D+01  0.903955D+01  0.207268D+02
      2   0.160878D+02  0.153987D+02 -0.325041D+01 -0.119680D+02 -0.132765D+02
      3   0.464545D+02  0.235220D+02  0.841815D+00  0.292844D+01 -0.745034D+01
      4  -0.904322D+02 -0.258533D+02 -0.238642D+02  0.155965D+02  0.620543D+01
      5  -0.250578D+02 -0.283995D+02 -0.750065D+01  0.389500D+02  0.375340D+01
      6  -0.222418D+02 -0.123589D+02 -0.845325D+01  0.152244D+02 -0.497726D+01
               216           217           218           219           220 
      1   0.413782D+02  0.370198D+02  0.358456D+02  0.837110D+01  0.552147D+02
      2  -0.273360D+02 -0.863310D+01 -0.256957D+02 -0.122866D+02 -0.361119D+02
      3  -0.140422D+02 -0.283867D+02 -0.101499D+02  0.391549D+01 -0.191028D+02
      4   0.898975D+01  0.460704D+02 -0.491905D+01 -0.185914D+02 -0.243766D+02
      5   0.210046D+02  0.302358D+01 -0.313895D+02 -0.272554D+02 -0.347784D+02
      6   0.322157D+01 -0.165606D+02  0.508043D+01  0.574186D+01  0.210685D+02
               221           222           223           224           225 
      1   0.235013D+00 -0.317510D+02  0.101158D+02 -0.252068D+02 -0.250929D+02
      2   0.140041D+02  0.119222D+02 -0.173430D+02  0.673415D+01  0.618532D+01
      3  -0.142391D+02  0.198288D+02  0.722720D+01  0.184726D+02  0.189075D+02
      4  -0.648560D+01  0.380229D+02 -0.881190D+01  0.261349D+02 -0.195039D+02
      5   0.416056D+02 -0.968494D+01 -0.366472D+02 -0.127067D+02  0.691937D+01
      6   0.950017D+01 -0.303177D+02  0.363305D+00 -0.208316D+02  0.121311D+02
               226           227           228           229           230 
      1  -0.634614D+01  0.584371D+02  0.905751D+01  0.136390D+03 -0.146089D+02
      2   0.177357D+02 -0.365581D+02 -0.140902D+02 -0.828509D+02  0.858541D+01
      3  -0.113895D+02 -0.218790D+02  0.503273D+01 -0.535391D+02  0.602351D+01
      4   0.659963D+02 -0.366866D+01 -0.218947D+02 -0.337790D+02 -0.244555D+02
      5   0.172634D+02 -0.261939D+02 -0.333750D+02 -0.499887D+02  0.371661D+02
      6  -0.105831D+02 -0.571137D+00 -0.296851D+01  0.939529D-02  0.123202D+02
               231           232           233           234           235 
      1  -0.411215D+02  0.270020D+02 -0.300928D+02 -0.419038D+02 -0.684289D+01
      2   0.247823D+02 -0.209514D+02  0.181525D+02  0.971965D+01 -0.354296D+02
      3   0.163392D+02 -0.605055D+01  0.119403D+02  0.321841D+02  0.422725D+02
      4   0.356046D+02 -0.116726D+02  0.336360D+02 -0.430657D+02 -0.554953D+02
      5  -0.279857D+02 -0.590299D+02 -0.346459D+02 -0.111825D+02  0.780100D+01
      6  -0.190744D+02 -0.149315D+02 -0.187689D+02  0.353229D+01  0.165688D+02
               236           237           238           239           240 
      1  -0.318873D+02 -0.660274D+01 -0.257682D+02 -0.173814D+02  0.210256D+02
      2   0.532183D+01  0.205189D+02 -0.269813D+01  0.159431D+01 -0.210312D+02
      3   0.265655D+02 -0.139161D+02  0.284663D+02  0.157871D+02  0.565161D-02
      4  -0.419921D+02  0.709676D+01 -0.628137D+02 -0.206400D+02  0.739835D-01
      5   0.157554D+02  0.222332D+02  0.179293D+02 -0.569010D+01 -0.635971D+01
      6   0.156048D+02  0.182516D+02  0.148203D+02 -0.121577D+02 -0.241178D+01
               241           242           243           244           245 
      1  -0.627998D+01  0.190575D+02  0.328368D+02 -0.203631D+02  0.209383D+02
      2   0.116944D+02 -0.248003D+02 -0.108081D+02 -0.748204D+02 -0.198054D+02
      3  -0.541446D+01  0.574274D+01 -0.220287D+02  0.951835D+02 -0.113282D+01
      4   0.165349D+02  0.865860D+00  0.109696D+02  0.352288D+03 -0.366323D+02
      5   0.189154D+02 -0.365614D+01  0.185698D+02  0.784287D+02  0.644887D+01
      6   0.149536D+02 -0.508238D+01  0.240956D+02  0.259038D+03  0.105170D+02
               246           247           248           249           250 
      1  -0.818900D+01 -0.108283D+03 -0.911258D+02  0.215162D+02  0.976061D+01
      2   0.568460D+01  0.114282D+03  0.671774D+02 -0.156276D+02 -0.957794D+01
      3   0.250440D+01 -0.599898D+01  0.239484D+02 -0.588859D+01 -0.182670D+00
      4  -0.915247D+01 -0.219326D+03 -0.144778D+03  0.450803D+02  0.585950D+02
      5  -0.226738D+02  0.623311D+02  0.140166D+02 -0.242903D+02 -0.564172D+01
      6  -0.107353D+01  0.606482D+02  0.710875D+01 -0.190346D+01 -0.365889D+02
               251           252           253           254           255 
      1   0.130461D+02 -0.253781D+02 -0.536931D+01 -0.266724D+02  0.107288D+01
      2  -0.671645D+01  0.124814D+02  0.383278D+02  0.190025D+02  0.723958D+00
      3  -0.632965D+01  0.128966D+02 -0.329585D+02  0.766991D+01 -0.179684D+01
      4   0.167543D+02 -0.333578D+02 -0.271284D+02 -0.450276D+02  0.496797D+01
      5  -0.231767D+02  0.113032D+02  0.562039D+00  0.325135D+01 -0.164011D+02
      6   0.116943D+02 -0.269559D+01 -0.404658D+02  0.554889D+01  0.109208D+02
               256           257           258           259           260 
      1   0.268378D+02  0.511404D+02 -0.130805D+02 -0.112348D+02 -0.275989D+00
      2  -0.940093D+02 -0.421834D+02  0.870125D+01  0.170530D+02 -0.499525D+01
      3   0.671715D+02 -0.895702D+01  0.437923D+01 -0.581820D+01  0.527124D+01
      4   0.181481D+03  0.305104D+02 -0.762304D+01 -0.339046D+02  0.119937D+02
      5  -0.263059D+02 -0.186924D+01 -0.793702D+00 -0.107523D+02  0.117223D+02
      6   0.452636D+02 -0.721091D+01 -0.771887D+01  0.209512D+02 -0.143067D+02
               261           262           263           264           265 
      1  -0.351096D+01  0.223695D+02  0.119673D+02 -0.122377D+02  0.496435D+01
      2  -0.169753D+01 -0.148981D+02 -0.194124D+02  0.681447D+01 -0.400933D+01
      3   0.520849D+01 -0.747138D+01  0.744508D+01  0.542328D+01 -0.955018D+00
      4   0.151154D+02 -0.219389D+02  0.434132D+02  0.575493D+01  0.777204D+01
      5   0.757396D+00 -0.225701D+02  0.265782D+01  0.129412D+02  0.135043D+02
      6   0.288014D+00  0.109301D+02 -0.366548D+01 -0.879133D+01 -0.386294D+01
               266           267           268           269           270 
      1  -0.193373D+02 -0.179991D+01 -0.372222D+01 -0.195877D+02  0.431149D+00
      2   0.311472D+02  0.695520D+01  0.780624D+01  0.244975D+02  0.682261D+00
      3  -0.118099D+02 -0.515529D+01 -0.408403D+01 -0.490987D+01 -0.111341D+01
      4  -0.416474D+02 -0.706693D+01  0.218024D+02 -0.393699D+02 -0.162460D+02
      5  -0.808634D+01 -0.646664D+01  0.307920D+02 -0.142325D+02 -0.303212D+02
      6   0.121926D+02  0.110096D+02 -0.210325D+02  0.208442D+02  0.281167D+02
               271           272           273           274           275 
      1   0.720298D+02 -0.635240D+02  0.865064D+00  0.152018D+03 -0.164002D+02
      2   0.383520D+02  0.541697D+02 -0.312112D+01 -0.104630D+03  0.181348D+02
      3  -0.110382D+03  0.935435D+01  0.225605D+01 -0.473879D+02 -0.173463D+01
      4  -0.159380D+03 -0.121777D+02 -0.244170D+02  0.390319D+03 -0.175091D+02
      5  -0.957601D+02 -0.419694D+01  0.205843D+02  0.217771D+02  0.326975D+01
      6  -0.374564D+03 -0.101884D+02  0.953535D+01  0.119920D+03 -0.603225D+01
               276           277           278           279           280 
      1   0.261178D+01 -0.561892D+01 -0.115709D+01 -0.769458D+01  0.339825D+02
      2  -0.645099D+00 -0.280392D+01  0.302298D+01  0.505488D+01 -0.302306D+02
      3  -0.196668D+01  0.842284D+01 -0.186589D+01  0.263970D+01 -0.375195D+01
      4   0.587079D+01 -0.407771D+02  0.882407D+00 -0.148104D+01 -0.334286D+02
      5  -0.873577D+00  0.327893D+00 -0.531574D+00 -0.123495D+01  0.223970D+02
      6   0.122026D+02 -0.660999D+02  0.891840D+01 -0.444235D+01 -0.170764D+02
               281           282           283           284           285 
      1   0.164605D+02  0.599857D+01  0.776962D+01 -0.544220D+01  0.613965D+01
      2  -0.208509D+02 -0.382536D+01 -0.606161D+01  0.104415D+02 -0.807475D+01
      3   0.439034D+01 -0.217322D+01 -0.170801D+01 -0.499928D+01  0.193510D+01
      4   0.447613D+02 -0.195241D+02  0.118078D+02 -0.210831D+02  0.115606D+02
      5  -0.109689D+02  0.211603D+02 -0.725097D+00  0.102376D+02 -0.211946D+01
      6   0.732443D+01 -0.121714D+02  0.873009D+01 -0.851938D+01  0.777055D+01
               286           287           288           289           290 
      1   0.598134D+01  0.123654D+02 -0.895206D+00 -0.142651D+02 -0.227695D+02
      2  -0.187177D+02 -0.108299D+02 -0.800831D+01  0.192396D+02  0.242956D+02
      3   0.127364D+02 -0.153544D+01  0.890352D+01 -0.497451D+01 -0.152603D+01
      4  -0.239112D+02  0.256791D+02 -0.207894D+02 -0.212643D+02  0.984951D+01
      5   0.278244D+02 -0.141289D+02  0.342055D+02 -0.231002D+01 -0.133295D+01
      6  -0.263226D+02  0.148038D+02 -0.270775D+02 -0.101084D+02 -0.546638D+01
               291           292           293           294           295 
      1   0.611471D+01  0.587336D+01 -0.501019D+02  0.909480D+01 -0.303387D+00
      2  -0.370365D+01  0.104742D+02  0.661763D+02 -0.845519D+01 -0.297584D+01
      3  -0.241106D+01 -0.163476D+02 -0.160744D+02 -0.639616D+00  0.327922D+01
      4  -0.123016D+01 -0.207679D+02 -0.206186D+02  0.441997D+01  0.564587D+01
      5  -0.299405D+00 -0.205628D+01  0.312557D+01 -0.318908D+01  0.200219D+01
      6   0.734620D+01 -0.110470D+02 -0.128548D+02  0.139094D+02  0.600807D+00
               296           297           298           299           300 
      1   0.832984D+01 -0.157674D+02 -0.142880D+02 -0.227615D+02 -0.612064D+01
      2  -0.609155D+01  0.127750D+02  0.192548D+02  0.242871D+02  0.370700D+01
      3  -0.223829D+01  0.299243D+01 -0.496684D+01 -0.152563D+01  0.241364D+01
      4   0.925697D+00 -0.249722D+01 -0.213203D+02  0.985123D+01  0.123921D+01
      5  -0.643740D+01  0.331392D+01  0.230151D+01  0.133009D+01 -0.298868D+00
      6   0.178408D+02 -0.104188D+02  0.100632D+02  0.546970D+01  0.734813D+01
               301           302           303           304           305 
      1   0.583922D+01 -0.500853D+02 -0.910485D+01  0.293001D+00 -0.833160D+01
      2   0.105006D+02  0.661442D+02  0.846172D+01  0.298097D+01  0.609207D+01
      3  -0.163398D+02 -0.160590D+02  0.643126D+00 -0.327398D+01  0.223953D+01
      4  -0.208322D+02 -0.205903D+02 -0.441266D+01 -0.566225D+01 -0.920397D+00
      5   0.202115D+01 -0.312881D+01 -0.318591D+01  0.199795D+01 -0.643203D+01
      6   0.109966D+02  0.128553D+02  0.139055D+02  0.585117D+00  0.178380D+02
               306           307           308           309           310 
      1  -0.157688D+02  0.340932D+02  0.164708D+02 -0.599193D+01  0.771267D+01
      2   0.127707D+02 -0.303036D+02 -0.208581D+02  0.382137D+01 -0.602335D+01
      3   0.299807D+01 -0.378963D+01  0.438732D+01  0.217056D+01 -0.168932D+01
      4  -0.249102D+01 -0.333123D+02  0.447613D+02  0.195347D+02  0.117612D+02
      5  -0.331462D+01 -0.223838D+02  0.109776D+02  0.211606D+02  0.720732D+00
      6   0.104264D+02  0.170100D+02 -0.732847D+01 -0.121761D+02 -0.871781D+01
               311           312           313           314           315 
      1  -0.546241D+01 -0.614020D+01 -0.604247D+01 -0.123597D+02 -0.898920D+00
      2   0.104664D+02  0.807201D+01  0.187449D+02  0.108228D+02 -0.799994D+01
      3  -0.500399D+01 -0.193181D+01 -0.127024D+02  0.153686D+01  0.889886D+01
      4  -0.211108D+02 -0.115653D+02  0.238145D+02 -0.256552D+02 -0.207962D+02
      5  -0.102429D+02 -0.213075D+01  0.278141D+02 -0.141312D+02 -0.341843D+02
      6   0.852150D+01  0.777864D+01 -0.262695D+02  0.148058D+02  0.270724D+02
               316           317           318           319           320 
      1   0.541202D+02  0.259800D+02  0.929245D+01  0.374782D+02  0.189304D+02
      2  -0.178916D+02 -0.256120D+00 -0.390006D+01  0.577400D-01  0.136387D+02
      3  -0.362286D+02 -0.257239D+02 -0.539239D+01 -0.375360D+02 -0.325691D+02
      4   0.685444D+02  0.561766D+02  0.152121D+02  0.858376D+02  0.765030D+02
      5   0.316665D+02  0.180025D+02  0.186363D+02  0.345335D+02  0.272693D+02
      6   0.179042D+02  0.147003D+02  0.863477D+01  0.265476D+02  0.238295D+02
               321           322           323           324           325 
      1   0.386340D+01 -0.886466D+01 -0.285490D+01 -0.625779D-01 -0.123364D+02
      2   0.856564D+00  0.174057D+01 -0.665389D-01  0.109632D+01  0.818074D+01
      3  -0.471996D+01  0.712409D+01  0.292144D+01 -0.103374D+01  0.415570D+01
      4   0.234366D+02 -0.885504D+00  0.809567D+01  0.108327D+02  0.192060D+01
      5   0.193418D+02  0.126709D+02  0.114543D+02  0.792895D+01  0.144139D+01
      6   0.147011D+02  0.689914D+01  0.917737D+01  0.630438D+01  0.438865D+01
               326           327           328           329           330 
      1   0.194532D+02  0.307986D+02  0.532058D+01 -0.897120D+01 -0.107991D+02
      2  -0.986697D+01 -0.772857D+01 -0.441780D+00  0.678571D+01  0.721480D+01
      3  -0.958624D+01 -0.230701D+02 -0.487880D+01  0.218549D+01  0.358430D+01
      4  -0.165249D+01 -0.238301D+01  0.996951D+01  0.103607D+02  0.828972D+01
      5  -0.606122D+01 -0.193418D+02  0.255548D+01  0.920533D+01  0.661278D+01
      6  -0.995505D+01 -0.182362D+02  0.225254D+01  0.102734D+02  0.112325D+02
               331           332           333           334           335 
      1   0.641661D+01 -0.167663D+02 -0.356760D+02  0.194815D+03  0.192623D+01
      2  -0.221760D+01  0.725617D+01  0.365660D+01 -0.117430D+03 -0.830568D+00
      3  -0.419901D+01  0.951014D+01  0.320194D+02 -0.773853D+02 -0.109566D+01
      4   0.326508D+01  0.873623D+01  0.630894D+01  0.994049D+01  0.161112D+02
      5   0.644227D+01  0.114293D+02  0.295813D+02  0.845525D+02  0.489102D+00
      6   0.132686D+01  0.150386D+02  0.234322D+02  0.115569D+01  0.361697D+01
               336           337           338           339           340 
      1   0.408192D+02  0.227698D+01  0.105218D+02  0.125685D+00  0.270964D+02
      2  -0.296150D+02 -0.121446D+01 -0.492832D+01  0.537176D+00 -0.225161D+02
      3  -0.112042D+02 -0.106253D+01 -0.559347D+01 -0.662860D+00 -0.458032D+01
      4   0.451667D+00  0.199320D+02  0.581840D+00  0.626438D+01 -0.159541D+01
      5   0.395302D+02 -0.824184D+00  0.651862D+01 -0.164528D+00  0.323037D+02
      6   0.209940D+01  0.409500D+01  0.837843D+00  0.347408D+01  0.263480D+01
               341           342           343           344           345 
      1   0.860834D-01  0.181951D+02  0.108026D+02 -0.545959D+01  0.165798D+02
      2   0.186678D+01 -0.151651D+02 -0.754346D+01  0.847054D-01 -0.633105D+00
      3  -0.195286D+01 -0.302997D+01 -0.325911D+01  0.537488D+01 -0.159467D+02
      4   0.114134D+01  0.344575D-01 -0.236455D+01 -0.630966D+01  0.595180D+01
      5  -0.660344D+00  0.168241D+02  0.777851D+01  0.400386D+01 -0.130263D+02
      6   0.191228D+01 -0.130044D+00 -0.302660D+00 -0.261210D+01  0.110198D+01
               346           347           348           349           350 
      1  -0.684597D+01 -0.945866D+01  0.789773D+01  0.797819D+01  0.599657D+01
      2   0.813161D+01  0.598566D+00  0.763846D+01 -0.959452D+01  0.606628D+01
      3  -0.128564D+01  0.886010D+01 -0.155362D+02  0.161634D+01 -0.120628D+02
      4   0.472862D+01 -0.160388D+02  0.184177D+02 -0.552776D+01  0.155385D+02
      5  -0.108735D+02  0.156788D+02 -0.295949D+02  0.193855D+02 -0.203326D+02
      6   0.113950D+01 -0.717357D+01  0.889467D+01 -0.152547D+01  0.784457D+01
               351           352           353           354           355 
      1  -0.208844D+02  0.649050D+02 -0.285700D+02 -0.434036D+01 -0.444686D+02
      2  -0.175380D+02 -0.316585D+02  0.127665D+02  0.209587D+01  0.164675D+02
      3   0.384224D+02 -0.332465D+02  0.158034D+02  0.224450D+01  0.280011D+02
      4  -0.231026D+02 -0.357375D+02  0.301980D+02  0.455894D+01  0.603755D+02
      5   0.561275D+02 -0.606610D+01  0.407852D+01  0.123865D+02  0.647183D+01
      6  -0.804760D+01  0.248144D+01 -0.348999D+00 -0.960532D+00 -0.837041D+00
               356           357           358           359           360 
      1   0.185008D+02  0.356764D+01 -0.175438D+02  0.708399D+01  0.100266D+02
      2   0.682204D-01 -0.123109D+01  0.920179D+01 -0.297610D+01 -0.692099D+01
      3  -0.185690D+02 -0.233656D+01  0.834201D+01 -0.410790D+01 -0.310557D+01
      4  -0.542905D+02 -0.574302D+01  0.136941D+02 -0.913000D+01 -0.881180D+01
      5  -0.572849D+01 -0.688139D+01  0.260785D+02 -0.784235D+01 -0.624027D+01
      6   0.593744D+00  0.367690D+01 -0.263246D+01  0.468037D+01  0.965819D+00
               361           362           363           364           365 
      1  -0.432855D+02 -0.181085D+02 -0.146474D+02 -0.187317D+02 -0.112300D+02
      2   0.236697D+02  0.104797D+02 -0.589254D+01  0.114952D+02  0.390418D+01
      3   0.196159D+02  0.762880D+01  0.205400D+02  0.723648D+01  0.732580D+01
      4  -0.234498D+02 -0.101428D+02  0.116057D+01 -0.340645D+01 -0.582482D+01
      5   0.248767D+02  0.109182D+02 -0.137147D+02  0.127448D+02 -0.207203D+01
      6   0.633588D+01  0.570310D+01 -0.963185D-01  0.949207D+00  0.337566D+01
               366           367           368           369           370 
      1  -0.190434D+01  0.136744D+01  0.438774D+00 -0.108197D+02  0.167056D+01
      2  -0.426197D+01 -0.766926D+01 -0.300351D+01  0.424900D+01 -0.402080D+01
      3   0.616630D+01  0.630182D+01  0.256473D+01  0.657068D+01  0.235023D+01
      4  -0.637828D+01  0.498241D+01 -0.204400D+01 -0.457113D+01  0.927785D+00
      5  -0.626320D+01 -0.777866D+01 -0.401732D+01  0.474579D+01 -0.111842D+02
      6   0.574791D+01 -0.400608D+00  0.324540D+01  0.687671D+00 -0.340559D+01
               371           372           373           374           375 
      1   0.345827D+01 -0.860109D+01  0.109662D+01 -0.127950D+02  0.189433D+02
      2  -0.103613D+01  0.546688D+01 -0.704356D+01  0.319240D+01  0.760435D+01
      3  -0.242214D+01  0.313421D+01  0.594694D+01  0.960257D+01 -0.265476D+02
      4   0.460095D+01 -0.109892D+01  0.172344D+02  0.298230D+02 -0.255787D+02
      5  -0.970110D+00  0.105806D+02 -0.208079D+02 -0.272764D+02  0.425312D+02
      6  -0.156174D+01  0.163594D+00 -0.141063D+02 -0.266601D+02  0.293197D+02
               376           377           378           379           380 
      1  -0.266490D+01  0.118923D+02 -0.183158D+02  0.382496D+02 -0.162403D+02
      2   0.109257D+02  0.296307D+01 -0.143582D+02 -0.336394D+02  0.137738D+02
      3  -0.826079D+01 -0.148554D+02  0.326740D+02 -0.461015D+01  0.246652D+01
      4  -0.881375D+01 -0.190667D+02  0.210803D+02 -0.246389D+02  0.191071D+02
      5   0.257820D+02  0.217454D+02 -0.457348D+02 -0.488513D+02  0.210051D+02
      6   0.913115D+01  0.207346D+02 -0.255553D+02  0.106764D+02 -0.904613D+01
               381           382           383           384           385 
      1  -0.167618D+02 -0.282187D+02  0.100264D+02  0.107940D+02 -0.112508D+02
      2   0.232326D+02  0.264869D+02 -0.126248D+02 -0.199898D+02  0.202668D+02
      3  -0.647087D+01  0.173176D+01  0.259838D+01  0.919580D+01 -0.901602D+01
      4   0.154167D+02  0.288670D+02 -0.272999D+02 -0.249474D+02  0.128241D+02
      5   0.417484D+02  0.411688D+02 -0.289579D+02 -0.358324D+02  0.370565D+02
      6  -0.661004D+01 -0.161154D+02  0.134929D+02  0.154199D+02 -0.714318D+01
               386           387           388           389           390 
      1   0.471036D+01  0.781554D+01  0.501732D+02  0.999661D+01  0.220961D+02
      2  -0.881137D+01 -0.210677D+02 -0.209337D+02 -0.801679D+00 -0.717257D+01
      3   0.410101D+01  0.132521D+02 -0.292395D+02 -0.919493D+01 -0.149236D+02
      4  -0.141297D+02 -0.127704D+02  0.192455D+02  0.155540D+02  0.139490D+02
      5  -0.152807D+02 -0.372722D+02  0.213715D+02  0.101659D+02  0.207766D+02
      6   0.100393D+02  0.722600D+01  0.621380D+01  0.216228D+01  0.417318D+01
               391           392           393           394           395 
      1   0.133105D+02  0.136872D+02  0.117288D+02  0.634968D+02  0.191588D+02
      2   0.371915D+00 -0.125505D+01 -0.221653D+01 -0.251923D+02 -0.368111D+01
      3  -0.136824D+02 -0.124322D+02 -0.951227D+01 -0.383045D+02 -0.154777D+02
      4   0.269479D+02  0.202952D+02  0.875853D+01  0.321091D+02  0.194796D+02
      5   0.125314D+02  0.573357D+01  0.154483D+02  0.247114D+02  0.143603D+02
      6   0.121162D+01  0.119565D+01  0.664931D+01  0.546821D+01  0.510000D+01
               396           397           398           399           400 
      1   0.221770D+02  0.126795D+03 -0.293119D+02 -0.296673D+02 -0.117397D+03
      2  -0.551907D+01 -0.775406D+02  0.190002D+02  0.213702D+02  0.718286D+02
      3  -0.166579D+02 -0.492540D+02  0.103117D+02  0.829715D+01  0.455687D+02
      4   0.185812D+02 -0.235327D+02  0.184142D+02  0.689354D+01  0.329556D+02
      5   0.473271D+02 -0.468592D+02  0.118745D+02  0.272604D+02  0.476709D+02
      6   0.109252D+02  0.493472D+01 -0.182203D+01  0.110843D+01 -0.407645D+01
               401           402           403           404           405 
      1   0.273543D+02  0.265370D+02 -0.526795D+02  0.105154D+02  0.268883D+02
      2  -0.177630D+02 -0.201539D+02  0.373018D+02 -0.905398D+01 -0.197685D+02
      3  -0.959125D+01 -0.638309D+01  0.153777D+02 -0.146141D+01 -0.711981D+01
      4  -0.239426D+02 -0.136748D+02  0.714675D+01 -0.126823D+02 -0.199694D+01
      5  -0.163217D+02 -0.221259D+02  0.492534D+02 -0.469007D+01 -0.241490D+02
      6   0.338275D+01  0.321963D+01  0.305183D+01  0.469331D+01 -0.679842D+00
               406           407           408           409           410 
      1   0.175826D+02  0.653011D+01 -0.992711D+01  0.256613D+02  0.889529D+01
      2  -0.831011D+01 -0.153197D+01  0.520254D+01 -0.589967D+01  0.937698D+01
      3  -0.927251D+01 -0.499814D+01  0.472456D+01 -0.197616D+02 -0.182723D+02
      4   0.102547D+02  0.109277D+02 -0.484713D+01  0.551840D+02  0.635301D+02
      5  -0.146713D+02 -0.453332D+01  0.914018D+01 -0.304733D+02 -0.375154D+02
      6  -0.576411D+01 -0.255871D+01  0.188003D+01 -0.184656D+02 -0.253185D+02
               411           412           413           414           415 
      1  -0.764791D+00 -0.327105D+02 -0.169227D+01  0.854207D+01 -0.125164D+02
      2  -0.230197D+01  0.182397D+02 -0.301050D+01 -0.707287D+01  0.147203D+02
      3   0.306676D+01  0.144708D+02  0.470277D+01 -0.146920D+01 -0.220385D+01
      4  -0.366969D+02 -0.325843D+02 -0.397862D+02  0.337150D+02 -0.802223D+01
      5   0.358856D+02  0.435818D+02  0.335909D+02 -0.404557D+02  0.299632D+01
      6   0.203696D+02  0.176690D+02  0.204956D+02 -0.200815D+02  0.258799D+01
               416           417           418           419           420 
      1   0.345129D+02  0.968681D+01  0.806093D+01 -0.308981D+02 -0.108622D+02
      2  -0.379416D+02 -0.119193D+02 -0.598001D+01  0.419933D+02  0.129601D+02
      3   0.342878D+01  0.223253D+01 -0.208092D+01 -0.110952D+02 -0.209798D+01
      4  -0.176757D+01  0.117666D+01 -0.764823D-01  0.106637D+02  0.238646D+01
      5  -0.686517D+01 -0.899686D+01 -0.320273D+01  0.849142D+01  0.426430D+01
      6  -0.521884D+01 -0.119635D+02 -0.254728D+01  0.698850D+01  0.740649D+01
               421           422           423           424           425 
      1   0.722932D+01 -0.234875D+02 -0.175941D+02  0.349202D+02  0.808185D+01
      2  -0.469907D+01  0.304954D+02  0.141470D+02  0.122036D+02  0.265156D+02
      3  -0.253025D+01 -0.700792D+01  0.344706D+01 -0.471238D+02 -0.345974D+02
      4   0.564659D+01  0.110955D+02 -0.708296D-01  0.841224D+02  0.666815D+02
      5  -0.406575D+01  0.781139D+01  0.771475D+01 -0.155358D+02 -0.111089D+02
      6  -0.473969D+01  0.106305D+02  0.984763D+01 -0.125924D+02 -0.111362D+02
               426           427           428           429           430 
      1   0.317300D+00  0.878286D+01 -0.766218D+00 -0.125686D+01  0.177506D+01
      2  -0.335249D+01  0.207038D+02  0.351409D+02 -0.724121D+00  0.240886D+00
      3   0.303519D+01 -0.294867D+02 -0.343747D+02  0.198098D+01 -0.201594D+01
      4  -0.826923D+01  0.617045D+02  0.636972D+02 -0.712626D+01 -0.222832D+01
      5   0.924567D+01 -0.869039D+01 -0.787154D+01  0.814376D+01  0.867897D+01
      6   0.804486D+01 -0.535342D+01 -0.906556D+01  0.819176D+01  0.727380D+01
               431           432           433           434           435 
      1  -0.164243D+01 -0.161434D+01 -0.614612D+01  0.130605D+02 -0.145031D+02
      2   0.280635D+01  0.286891D+01  0.512840D+01 -0.970209D+01  0.258057D+01
      3  -0.116392D+01 -0.125456D+01  0.101772D+01 -0.335840D+01  0.119225D+02
      4  -0.109242D+01  0.845453D+01 -0.969344D+00  0.817731D+00 -0.348134D+01
      5   0.854604D+01 -0.453312D+01 -0.107285D+01  0.160543D+01 -0.921850D+01
      6   0.913798D+01 -0.493724D+01 -0.364931D+01  0.519766D+01 -0.155927D+02
               436           437           438           439           440 
      1  -0.739332D+00 -0.522169D+01  0.311548D+01 -0.209683D+01  0.190710D+02
      2   0.176780D+01  0.346526D+01 -0.489007D+01 -0.705233D-01 -0.167035D+02
      3  -0.102847D+01  0.175643D+01  0.177459D+01  0.216735D+01 -0.236743D+01
      4   0.443789D+00 -0.120684D+01 -0.393040D+01 -0.497514D+01 -0.123591D+02
      5  -0.102418D+01 -0.431297D+01  0.109712D+01  0.530886D+01  0.116640D+02
      6  -0.328119D+00 -0.446242D+01  0.644638D+01  0.791003D+00  0.204423D+02
               441           442           443           444           445 
      1  -0.352735D+02  0.161643D+01  0.348222D+01  0.860551D+01  0.107347D+01
      2   0.432809D+01 -0.396582D+01 -0.103220D+01 -0.542552D+01 -0.700441D+01
      3   0.309454D+02  0.234939D+01 -0.245002D+01 -0.317999D+01  0.593094D+01
      4   0.131215D+01  0.880613D+00  0.453084D+01  0.104480D+01  0.171554D+02
      5  -0.351305D+02  0.110882D+02  0.920134D+00  0.104745D+02  0.207113D+02
      6  -0.413429D+02  0.337129D+01  0.150892D+01  0.105506D+00  0.140592D+02
               446           447           448           449           450 
      1  -0.129055D+02 -0.190332D+02  0.262986D+01 -0.119486D+02 -0.183681D+02
      2   0.326858D+01 -0.754331D+01 -0.108579D+02 -0.291677D+01 -0.142695D+02
      3   0.963692D+01  0.265765D+02  0.822804D+01  0.148654D+02  0.326376D+02
      4   0.298391D+02  0.255437D+02  0.873317D+01  0.190310D+02  0.210174D+02
      5   0.272265D+02  0.424371D+02  0.256502D+02  0.216698D+02  0.455659D+02
      6   0.266962D+02  0.293247D+02  0.907321D+01  0.207323D+02  0.255217D+02
               451           452           453           454           455 
      1  -0.431968D+02 -0.180830D+02  0.145875D+02 -0.187412D+02 -0.112618D+02
      2   0.236445D+02  0.104818D+02  0.589063D+01  0.115230D+02  0.393074D+01
      3   0.195523D+02  0.760117D+01 -0.204782D+02  0.721813D+01  0.733107D+01
      4  -0.234467D+02 -0.101470D+02 -0.119541D+01 -0.345141D+01 -0.582398D+01
      5  -0.248956D+02 -0.109422D+02 -0.136886D+02 -0.127852D+02  0.204616D+01
      6  -0.636711D+01 -0.571320D+01 -0.105089D+00 -0.957610D+00 -0.337583D+01
               456           457           458           459           460 
      1   0.189081D+01 -0.143163D+01 -0.459392D+00 -0.107697D+02  0.381548D+02
      2   0.428263D+01  0.770968D+01  0.302098D+01  0.426531D+01 -0.336214D+02
      3  -0.617345D+01 -0.627805D+01 -0.256158D+01  0.650435D+01 -0.453342D+01
      4   0.636060D+01 -0.502463D+01  0.203329D+01 -0.458000D+01 -0.245693D+02
      5  -0.629693D+01 -0.783070D+01 -0.404141D+01 -0.479072D+01  0.488651D+02
      6   0.574045D+01 -0.413874D+00  0.323447D+01 -0.695548D+00 -0.106537D+02
               461           462           463           464           465 
      1  -0.161679D+02  0.167333D+02 -0.280960D+02  0.993747D+01 -0.107566D+02
      2   0.137502D+02 -0.232641D+02  0.264456D+02 -0.125935D+02  0.200084D+02
      3   0.241772D+01  0.653077D+01  0.165041D+01  0.265604D+01 -0.925186D+01
      4   0.190490D+02 -0.154228D+02  0.287641D+02 -0.272048D+02  0.249337D+02
      5  -0.209972D+02  0.418171D+02 -0.411412D+02  0.289253D+02 -0.358690D+02
      6   0.902517D+01 -0.661371D+01  0.160784D+02 -0.134567D+02  0.154236D+02
               466           467           468           469           470 
      1   0.112679D+02 -0.470455D+01  0.780129D+01  0.175210D+02  0.653597D+01
      2  -0.203398D+02  0.883495D+01 -0.211636D+02 -0.827853D+01 -0.154023D+01
      3   0.907190D+01 -0.413040D+01  0.133623D+02 -0.924242D+01 -0.499574D+01
      4  -0.128370D+02  0.141465D+02 -0.128127D+02  0.102230D+02  0.109058D+02
      5   0.371722D+02 -0.153260D+02  0.374473D+02  0.146421D+02  0.451568D+01
      6  -0.715463D+01  0.100510D+02 -0.724999D+01  0.574863D+01  0.255357D+01
               471           472           473           474           475 
      1   0.990566D+01  0.256754D+02  0.886961D+01  0.752201D+00  0.326552D+02
      2  -0.519559D+01 -0.592865D+01  0.936494D+01  0.229003D+01 -0.182369D+02
      3  -0.471007D+01 -0.197468D+02 -0.182346D+02 -0.304223D+01 -0.144184D+02
      4   0.482296D+01  0.551689D+02  0.635281D+02  0.367178D+02  0.325247D+02
      5   0.913245D+01  0.304936D+02  0.375413D+02  0.358966D+02  0.435990D+02
      6   0.187195D+01  0.184815D+02  0.253406D+02  0.203851D+02  0.176631D+02
               476           477           478           479           480 
      1   0.165515D+01  0.854387D+01  0.126371D+03 -0.292888D+02  0.296815D+02
      2   0.300814D+01 -0.709774D+01 -0.773282D+02  0.189896D+02 -0.213959D+02
      3  -0.466329D+01 -0.144613D+01 -0.490424D+02  0.102992D+02 -0.828559D+01
      4   0.397681D+02  0.336972D+02 -0.235572D+02  0.184023D+02 -0.693535D+01
      5   0.335750D+02  0.404686D+02  0.468897D+02 -0.119183D+02  0.273013D+02
      6   0.204986D+02  0.200854D+02 -0.494071D+01  0.182574D+01  0.109806D+01
               481           482           483           484           485 
      1  -0.117265D+03  0.273456D+02 -0.266044D+02  0.527508D+02 -0.105596D+02
      2   0.717890D+02 -0.177707D+02  0.202201D+02 -0.373876D+02  0.909196D+01
      3   0.454765D+02 -0.957497D+01  0.638432D+01 -0.153632D+02  0.146763D+01
      4   0.330019D+02 -0.239789D+02  0.137378D+02 -0.721380D+01  0.127287D+02
      5  -0.478110D+02  0.163876D+02 -0.222230D+02  0.493755D+02 -0.474393D+01
      6   0.410327D+01 -0.340048D+01  0.323542D+01  0.303446D+01  0.470283D+01
               486           487           488           489           490 
      1   0.269429D+02  0.504303D+02  0.100467D+02 -0.221638D+02  0.133386D+02
      2  -0.198402D+02 -0.210423D+02 -0.819693D+00  0.719358D+01  0.356249D+00
      3  -0.710270D+01 -0.293880D+02 -0.922699D+01  0.149702D+02 -0.136948D+02
      4  -0.204576D+01  0.193152D+02  0.155797D+02 -0.139523D+02  0.269445D+02
      5   0.242785D+02 -0.213932D+02 -0.101598D+02  0.208200D+02 -0.125186D+02
      6   0.675072D+00 -0.620982D+01 -0.215384D+01  0.417415D+01 -0.119394D+01
               491           492           493           494           495 
      1   0.137000D+02 -0.117438D+02 -0.635868D+02 -0.191658D+02  0.222379D+02
      2  -0.128076D+01  0.223691D+01  0.252315D+02  0.370102D+01 -0.555552D+01
      3  -0.124192D+02  0.950692D+01  0.383553D+02  0.154647D+02 -0.166824D+02
      4   0.202508D+02 -0.871770D+01 -0.320883D+02 -0.194293D+02  0.185210D+02
      5  -0.568834D+01  0.153823D+02  0.246984D+02  0.142910D+02 -0.472557D+02
      6  -0.117688D+01  0.663038D+01  0.545067D+01  0.507540D+01 -0.108926D+02
               496           497           498           499           500 
      1   0.195100D+03  0.183712D+01 -0.407359D+02  0.218280D+01  0.105373D+02
      2  -0.117529D+03 -0.778076D+00  0.295377D+02 -0.116127D+01 -0.493624D+01
      3  -0.775703D+02 -0.105904D+01  0.111982D+02 -0.102152D+01 -0.560108D+01
      4   0.978776D+01  0.161105D+02 -0.407752D+00  0.199095D+02  0.556330D+00
      5  -0.843858D+02 -0.440795D+00  0.394322D+02  0.873952D+00 -0.650409D+01
      6  -0.110915D+01 -0.360826D+01  0.208052D+01 -0.409544D+01 -0.826762D+00
               501           502           503           504           505 
      1  -0.101064D+00 -0.269013D+02 -0.713927D-01  0.181446D+02  0.108446D+02
      2  -0.552489D+00  0.223696D+02 -0.187643D+01 -0.151062D+02 -0.755779D+01
      3   0.653553D+00  0.453174D+01  0.194782D+01 -0.303847D+01 -0.328683D+01
      4  -0.624950D+01  0.165596D+01 -0.112220D+01  0.127182D-01 -0.237029D+01
      5  -0.186261D+00  0.321683D+02 -0.681005D+00 -0.167143D+02 -0.777071D+01
      6   0.346639D+01  0.262722D+01  0.190356D+01  0.144303D+00  0.311112D+00
               506           507           508           509           510 
      1  -0.546938D+01 -0.165364D+02 -0.687614D+01 -0.944186D+01 -0.786357D+01
      2   0.100654D+00  0.633671D+00  0.815429D+01  0.592264D+00 -0.764580D+01
      3   0.536873D+01  0.159027D+02 -0.127815D+01  0.884960D+01  0.155094D+02
      4  -0.630226D+01 -0.593180D+01  0.474818D+01 -0.160636D+02 -0.184468D+02
      5  -0.398922D+01 -0.130092D+02  0.109073D+02 -0.157124D+02 -0.296241D+02
      6   0.260678D+01  0.110048D+01 -0.115082D+01  0.718106D+01  0.890480D+01
               511           512           513           514           515 
      1  -0.796675D+01 -0.597244D+01 -0.208356D+02 -0.122916D+02  0.194388D+02
      2   0.960097D+01 -0.608061D+01 -0.175539D+02  0.816026D+01 -0.985116D+01
      3  -0.163422D+01  0.120531D+02  0.383895D+02  0.413132D+01 -0.958761D+01
      4   0.555594D+01 -0.155703D+02 -0.231330D+02  0.193042D+01 -0.165986D+01
      5   0.194271D+02 -0.203721D+02 -0.562023D+02 -0.144766D+01  0.607265D+01
      6  -0.154992D+01  0.785777D+01  0.806646D+01 -0.438219D+01  0.994817D+01
               516           517           518           519           520 
      1  -0.307843D+02  0.532325D+01 -0.896181D+01  0.108084D+02 -0.639280D+01
      2   0.771049D+01 -0.446145D+00  0.677078D+01 -0.721101D+01  0.221187D+01
      3   0.230738D+02 -0.487710D+01  0.219103D+01 -0.359742D+01  0.418094D+01
      4   0.240456D+01  0.997649D+01  0.103679D+02 -0.831217D+01 -0.326287D+01
      5  -0.193794D+02 -0.256336D+01 -0.922512D+01  0.664329D+01  0.647539D+01
      6  -0.182364D+02 -0.225857D+01 -0.102777D+02  0.112532D+02  0.134852D+01
               521           522           523           524           525 
      1   0.167847D+02 -0.357243D+02  0.542881D+02  0.260515D+02 -0.931789D+01
      2  -0.725290D+01  0.363400D+01 -0.179781D+02 -0.296438D+00  0.391300D+01
      3  -0.953178D+01  0.320903D+02 -0.363100D+02 -0.257551D+02  0.540489D+01
      4  -0.876200D+01  0.635387D+01  0.686371D+02  0.562022D+02 -0.152098D+02
      5   0.114756D+02 -0.297168D+02 -0.316794D+02 -0.179996D+02  0.186409D+02
      6   0.150610D+02 -0.234920D+02 -0.178866D+02 -0.146864D+02  0.862570D+01
               526           527           528           529           530 
      1   0.375993D+02  0.190226D+02 -0.389768D+01  0.886035D+01  0.285502D+01
      2  -0.197944D-01  0.135564D+02 -0.825363D+00 -0.173166D+01  0.797951D-01
      3  -0.375795D+02 -0.325790D+02  0.472304D+01 -0.712868D+01 -0.293481D+01
      4   0.858355D+02  0.764501D+02 -0.234110D+02  0.858052D+00 -0.804309D+01
      5  -0.345277D+02 -0.272385D+02  0.193367D+02  0.126424D+02  0.114384D+02
      6  -0.265187D+02 -0.237758D+02  0.146777D+02  0.686828D+01  0.915125D+01
               531           532           533           534           535 
      1  -0.609989D-01  0.647272D+02 -0.285314D+02  0.434187D+01 -0.444213D+02
      2   0.109015D+01 -0.315590D+02  0.127456D+02 -0.209565D+01  0.164425D+02
      3  -0.102915D+01 -0.331683D+02  0.157858D+02 -0.224622D+01  0.279788D+02
      4   0.108213D+02 -0.357093D+02  0.301829D+02 -0.458471D+01  0.603363D+02
      5  -0.790795D+01  0.610237D+01 -0.410486D+01  0.123833D+02 -0.652430D+01
      6  -0.628943D+01 -0.247379D+01  0.360338D+00 -0.962314D+00  0.870579D+00
               536           537           538           539           540 
      1   0.184708D+02 -0.358254D+01  0.175499D+02 -0.709908D+01  0.100201D+02
      2   0.937008D-01  0.123561D+01 -0.920593D+01  0.298044D+01 -0.691793D+01
      3  -0.185645D+02  0.234693D+01 -0.834401D+01  0.411864D+01 -0.310216D+01
      4  -0.543304D+02  0.577846D+01 -0.137447D+02  0.918198D+01 -0.883397D+01
      5   0.577309D+01 -0.689683D+01  0.260930D+02 -0.786412D+01  0.628052D+01
      6  -0.613758D+00  0.368420D+01 -0.264345D+01  0.468940D+01 -0.973292D+00
               541           542           543           544           545 
      1   0.350126D+02  0.812680D+01 -0.292169D+00  0.881524D+01 -0.714084D+00
      2   0.121504D+02  0.264884D+02  0.334220D+01  0.206568D+02  0.350542D+02
      3  -0.471630D+02 -0.346152D+02 -0.305004D+01 -0.294720D+02 -0.343401D+02
      4   0.841954D+02  0.667170D+02  0.828583D+01  0.617001D+02  0.636389D+02
      5   0.155612D+02  0.111125D+02  0.925540D+01  0.869753D+01  0.786759D+01
      6   0.126081D+02  0.111377D+02  0.804144D+01  0.536407D+01  0.905290D+01
               546           547           548           549           550 
      1   0.126882D+01 -0.174896D+01  0.164218D+01 -0.161214D+01 -0.124717D+02
      2   0.717734D+00 -0.225994D+00 -0.277800D+01  0.287872D+01  0.146834D+02
      3  -0.198655D+01  0.197495D+01  0.113582D+01 -0.126658D+01 -0.221171D+01
      4   0.713090D+01  0.229487D+01  0.114505D+01  0.846598D+01 -0.797601D+01
      5   0.814725D+01  0.869798D+01  0.856123D+01  0.453872D+01 -0.297199D+01
      6   0.819241D+01  0.728483D+01  0.915226D+01  0.494214D+01 -0.259459D+01
               551           552           553           554           555 
      1   0.344901D+02 -0.971698D+01  0.804143D+01 -0.309329D+02  0.109094D+02
      2  -0.379135D+02  0.119485D+02 -0.595235D+01  0.420477D+02 -0.130190D+02
      3   0.342338D+01 -0.223150D+01 -0.208908D+01 -0.111148D+02  0.210967D+01
      4  -0.178024D+01 -0.115263D+01 -0.504769D-01  0.107229D+02 -0.240835D+01
      5   0.687954D+01 -0.900671D+01  0.319379D+01 -0.852096D+01  0.429649D+01
      6   0.526168D+01 -0.119767D+02  0.253751D+01 -0.704310D+01  0.744487D+01
               556           557           558           559           560 
      1  -0.722359D+01  0.235551D+02 -0.176532D+02 -0.616440D+01  0.131046D+02
      2   0.469511D+01 -0.305787D+02  0.142140D+02  0.513500D+01 -0.975205D+01
      3   0.252848D+01  0.702356D+01  0.343916D+01  0.102940D+01 -0.335252D+01
      4  -0.564264D+01 -0.111463D+02 -0.386140D-01 -0.100319D+01  0.790223D+00
      5  -0.406280D+01  0.785729D+01 -0.777151D+01  0.107423D+01 -0.161664D+01
      6  -0.473460D+01  0.106912D+02 -0.991451D+01  0.365677D+01 -0.521916D+01
               561           562           563           564           565 
      1   0.145341D+02 -0.731802D+00 -0.525125D+01 -0.313713D+01  0.212033D+01
      2  -0.260549D+01  0.175331D+01  0.349058D+01  0.489435D+01  0.765129D-01
      3  -0.119286D+02 -0.102151D+01  0.176066D+01 -0.175722D+01 -0.219685D+01
      4   0.349021D+01  0.435648D+00 -0.120483D+01  0.392986D+01  0.498238D+01
      5  -0.924979D+01  0.102434D+01  0.431769D+01  0.112278D+01  0.526344D+01
      6  -0.156290D+02  0.315543D+00  0.447699D+01  0.647253D+01  0.747606D+00
               566           567 
      1  -0.190782D+02 -0.352608D+02
      2   0.167248D+02  0.439776D+01
      3   0.235337D+01  0.308631D+02
      4   0.123595D+02  0.129419D+01
      5   0.116617D+02  0.350534D+02
      6   0.204438D+02  0.412752D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Aug 29 07:43:01 2021, MaxMem= 16106127360 cpu:         1756012.5 elap:          220711.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -321.66208 -38.45990 -33.75373 -33.75221 -33.73630
 Alpha  occ. eigenvalues --  -24.41863 -24.41862 -24.41769 -24.41769 -24.41744
 Alpha  occ. eigenvalues --  -24.41743 -18.89979 -18.89978 -18.89208 -18.89208
 Alpha  occ. eigenvalues --  -10.22818 -10.22817 -10.08208 -10.08208 -10.07472
 Alpha  occ. eigenvalues --  -10.07470 -10.01098 -10.01097 -10.01065 -10.01064
 Alpha  occ. eigenvalues --  -10.00168 -10.00167  -9.99311  -9.99311  -9.99309
 Alpha  occ. eigenvalues --   -9.99308  -9.98666  -9.98666  -9.97959  -9.97958
 Alpha  occ. eigenvalues --   -9.97770  -9.97769  -9.97566  -9.97566  -4.29836
 Alpha  occ. eigenvalues --   -2.84405  -2.84175  -2.80950  -1.32621  -1.32621
 Alpha  occ. eigenvalues --   -1.23874  -1.23873  -1.23576  -1.23575  -1.09378
 Alpha  occ. eigenvalues --   -1.08978  -1.07563  -1.07432  -0.93645  -0.93605
 Alpha  occ. eigenvalues --   -0.83249  -0.83155  -0.81030  -0.81026  -0.79648
 Alpha  occ. eigenvalues --   -0.79534  -0.77861  -0.77820  -0.73031  -0.73017
 Alpha  occ. eigenvalues --   -0.71979  -0.71964  -0.71300  -0.71274  -0.67446
 Alpha  occ. eigenvalues --   -0.67437  -0.65192  -0.64664  -0.64215  -0.64214
 Alpha  occ. eigenvalues --   -0.63606  -0.63530  -0.61387  -0.61317  -0.59575
 Alpha  occ. eigenvalues --   -0.57555  -0.57421  -0.57093  -0.56128  -0.55424
 Alpha  occ. eigenvalues --   -0.53961  -0.53958  -0.53490  -0.53452  -0.52178
 Alpha  occ. eigenvalues --   -0.51875  -0.51632  -0.51129  -0.51094  -0.50783
 Alpha  occ. eigenvalues --   -0.50761  -0.50526  -0.48814  -0.48708  -0.48050
 Alpha  occ. eigenvalues --   -0.47798  -0.47341  -0.47173  -0.46990  -0.46903
 Alpha  occ. eigenvalues --   -0.46571  -0.46537  -0.45755  -0.45352  -0.45272
 Alpha  occ. eigenvalues --   -0.45164  -0.45046  -0.45016  -0.44752  -0.44526
 Alpha  occ. eigenvalues --   -0.44211  -0.44198  -0.43668  -0.43544  -0.43340
 Alpha  occ. eigenvalues --   -0.42978  -0.41916  -0.40986  -0.40698  -0.40147
 Alpha  occ. eigenvalues --   -0.40078  -0.39824  -0.39354  -0.39203  -0.39149
 Alpha  occ. eigenvalues --   -0.38801  -0.38623  -0.38164  -0.37729  -0.37347
 Alpha  occ. eigenvalues --   -0.37061  -0.36263  -0.35766  -0.35681  -0.35099
 Alpha  occ. eigenvalues --   -0.32991  -0.30411  -0.29106  -0.28557
 Alpha virt. eigenvalues --   -0.02333  -0.02106   0.02111   0.02515   0.02868
 Alpha virt. eigenvalues --    0.03253   0.03395   0.03741   0.03860   0.04628
 Alpha virt. eigenvalues --    0.04657   0.05099   0.05234   0.05311   0.05648
 Alpha virt. eigenvalues --    0.05741   0.05757   0.06303   0.06871   0.07029
 Alpha virt. eigenvalues --    0.07366   0.07528   0.07753   0.07865   0.08030
 Alpha virt. eigenvalues --    0.08030   0.08267   0.08789   0.08957   0.08963
 Alpha virt. eigenvalues --    0.09325   0.09369   0.09660   0.09718   0.09888
 Alpha virt. eigenvalues --    0.10168   0.10444   0.10796   0.10914   0.11149
 Alpha virt. eigenvalues --    0.11467   0.11678   0.11846   0.12169   0.12181
 Alpha virt. eigenvalues --    0.12423   0.12427   0.12774   0.12939   0.13060
 Alpha virt. eigenvalues --    0.13207   0.13383   0.13453   0.13565   0.13609
 Alpha virt. eigenvalues --    0.13750   0.13998   0.14098   0.14409   0.14498
 Alpha virt. eigenvalues --    0.14716   0.15015   0.15050   0.15353   0.15519
 Alpha virt. eigenvalues --    0.15776   0.15806   0.16303   0.16324   0.16525
 Alpha virt. eigenvalues --    0.16756   0.16848   0.16947   0.17088   0.17304
 Alpha virt. eigenvalues --    0.17307   0.17495   0.17628   0.17952   0.18278
 Alpha virt. eigenvalues --    0.18371   0.18509   0.18668   0.18881   0.19026
 Alpha virt. eigenvalues --    0.19304   0.19354   0.19508   0.19524   0.19895
 Alpha virt. eigenvalues --    0.19995   0.20008   0.20414   0.20452   0.20670
 Alpha virt. eigenvalues --    0.20791   0.21217   0.21228   0.21437   0.21648
 Alpha virt. eigenvalues --    0.21812   0.21914   0.22204   0.22315   0.22566
 Alpha virt. eigenvalues --    0.22576   0.22761   0.22912   0.23101   0.23120
 Alpha virt. eigenvalues --    0.23406   0.23430   0.23617   0.23630   0.24158
 Alpha virt. eigenvalues --    0.24313   0.24370   0.24478   0.24884   0.24971
 Alpha virt. eigenvalues --    0.25037   0.25039   0.25327   0.25656   0.25851
 Alpha virt. eigenvalues --    0.25878   0.26112   0.26519   0.26539   0.26653
 Alpha virt. eigenvalues --    0.26847   0.26968   0.27502   0.27512   0.27788
 Alpha virt. eigenvalues --    0.28012   0.28060   0.28349   0.28467   0.28683
 Alpha virt. eigenvalues --    0.28769   0.28915   0.29139   0.29520   0.29646
 Alpha virt. eigenvalues --    0.29941   0.29972   0.30229   0.30504   0.30844
 Alpha virt. eigenvalues --    0.31118   0.31150   0.31295   0.31308   0.31651
 Alpha virt. eigenvalues --    0.31804   0.32052   0.32254   0.32320   0.33002
 Alpha virt. eigenvalues --    0.33163   0.33256   0.33360   0.33517   0.33635
 Alpha virt. eigenvalues --    0.33728   0.33817   0.34174   0.34236   0.34302
 Alpha virt. eigenvalues --    0.34325   0.34819   0.34850   0.34886   0.35247
 Alpha virt. eigenvalues --    0.35375   0.35556   0.35848   0.36289   0.36363
 Alpha virt. eigenvalues --    0.36733   0.36747   0.36985   0.37057   0.37121
 Alpha virt. eigenvalues --    0.37472   0.37752   0.37995   0.38102   0.38303
 Alpha virt. eigenvalues --    0.38440   0.38569   0.38570   0.38994   0.39278
 Alpha virt. eigenvalues --    0.39383   0.39505   0.39895   0.39949   0.40069
 Alpha virt. eigenvalues --    0.40656   0.40767   0.40870   0.40954   0.41302
 Alpha virt. eigenvalues --    0.41376   0.41719   0.41740   0.41777   0.42066
 Alpha virt. eigenvalues --    0.42107   0.42403   0.42857   0.42880   0.43246
 Alpha virt. eigenvalues --    0.43255   0.43660   0.43726   0.44101   0.44136
 Alpha virt. eigenvalues --    0.44557   0.44783   0.44950   0.45042   0.45214
 Alpha virt. eigenvalues --    0.45290   0.45465   0.45674   0.45696   0.46040
 Alpha virt. eigenvalues --    0.46378   0.46464   0.46573   0.46964   0.47048
 Alpha virt. eigenvalues --    0.47235   0.47703   0.47714   0.48109   0.48295
 Alpha virt. eigenvalues --    0.48435   0.48760   0.49115   0.49233   0.49728
 Alpha virt. eigenvalues --    0.49996   0.50063   0.50816   0.51088   0.51160
 Alpha virt. eigenvalues --    0.51274   0.51498   0.51514   0.51755   0.51870
 Alpha virt. eigenvalues --    0.52098   0.52932   0.53246   0.53534   0.54065
 Alpha virt. eigenvalues --    0.54199   0.54203   0.54366   0.54922   0.55151
 Alpha virt. eigenvalues --    0.55470   0.55730   0.55966   0.56258   0.56469
 Alpha virt. eigenvalues --    0.56698   0.56896   0.56920   0.57213   0.57555
 Alpha virt. eigenvalues --    0.57665   0.57848   0.58330   0.58363   0.58841
 Alpha virt. eigenvalues --    0.59007   0.59030   0.59223   0.59738   0.59865
 Alpha virt. eigenvalues --    0.60287   0.60322   0.60845   0.61089   0.61352
 Alpha virt. eigenvalues --    0.61440   0.61481   0.61607   0.62039   0.62060
 Alpha virt. eigenvalues --    0.62289   0.62405   0.62731   0.63245   0.63340
 Alpha virt. eigenvalues --    0.63409   0.63475   0.63725   0.64099   0.64252
 Alpha virt. eigenvalues --    0.64353   0.64505   0.64751   0.65191   0.65376
 Alpha virt. eigenvalues --    0.65474   0.65928   0.66055   0.66177   0.66496
 Alpha virt. eigenvalues --    0.66587   0.67026   0.67109   0.67430   0.67456
 Alpha virt. eigenvalues --    0.67887   0.67926   0.68099   0.68576   0.68656
 Alpha virt. eigenvalues --    0.68801   0.68851   0.69525   0.69529   0.69740
 Alpha virt. eigenvalues --    0.70070   0.70480   0.70679   0.70870   0.70960
 Alpha virt. eigenvalues --    0.71244   0.71395   0.71555   0.71753   0.71863
 Alpha virt. eigenvalues --    0.72037   0.72386   0.73047   0.73732   0.73920
 Alpha virt. eigenvalues --    0.73949   0.74129   0.74548   0.74653   0.74694
 Alpha virt. eigenvalues --    0.74723   0.75136   0.75429   0.75518   0.75912
 Alpha virt. eigenvalues --    0.75970   0.76276   0.76395   0.76693   0.76778
 Alpha virt. eigenvalues --    0.77206   0.77631   0.78200   0.78218   0.78296
 Alpha virt. eigenvalues --    0.78631   0.79020   0.79366   0.79542   0.79951
 Alpha virt. eigenvalues --    0.80303   0.80403   0.80756   0.81006   0.81094
 Alpha virt. eigenvalues --    0.81112   0.81612   0.81766   0.81846   0.82144
 Alpha virt. eigenvalues --    0.82165   0.82746   0.82853   0.83294   0.83363
 Alpha virt. eigenvalues --    0.83573   0.83911   0.83935   0.84387   0.84896
 Alpha virt. eigenvalues --    0.84966   0.85085   0.85289   0.85490   0.85902
 Alpha virt. eigenvalues --    0.85967   0.86479   0.86823   0.87002   0.87374
 Alpha virt. eigenvalues --    0.87576   0.88066   0.88102   0.88147   0.88364
 Alpha virt. eigenvalues --    0.88599   0.88932   0.89951   0.90304   0.90433
 Alpha virt. eigenvalues --    0.90568   0.90643   0.91218   0.91269   0.91757
 Alpha virt. eigenvalues --    0.92031   0.92434   0.92481   0.93214   0.93262
 Alpha virt. eigenvalues --    0.93646   0.93877   0.94259   0.94442   0.95575
 Alpha virt. eigenvalues --    0.95835   0.96034   0.96045   0.96667   0.96771
 Alpha virt. eigenvalues --    0.97221   0.97854   0.98155   0.98587   0.98611
 Alpha virt. eigenvalues --    0.99255   0.99995   1.00172   1.00368   1.01386
 Alpha virt. eigenvalues --    1.01806   1.02388   1.02728   1.02743   1.03135
 Alpha virt. eigenvalues --    1.03535   1.04187   1.04267   1.04381   1.05138
 Alpha virt. eigenvalues --    1.05223   1.06056   1.06543   1.06870   1.07042
 Alpha virt. eigenvalues --    1.08171   1.08570   1.09031   1.09445   1.09624
 Alpha virt. eigenvalues --    1.10173   1.10313   1.10385   1.10626   1.11580
 Alpha virt. eigenvalues --    1.12259   1.12798   1.12889   1.14002   1.14016
 Alpha virt. eigenvalues --    1.14445   1.14784   1.15299   1.15438   1.15780
 Alpha virt. eigenvalues --    1.15842   1.16139   1.17481   1.17657   1.18054
 Alpha virt. eigenvalues --    1.18465   1.18506   1.19623   1.20069   1.20733
 Alpha virt. eigenvalues --    1.20811   1.21028   1.21666   1.21927   1.22020
 Alpha virt. eigenvalues --    1.22786   1.22936   1.23306   1.23825   1.24002
 Alpha virt. eigenvalues --    1.24853   1.25076   1.25257   1.25374   1.25882
 Alpha virt. eigenvalues --    1.26440   1.26769   1.26954   1.27471   1.28461
 Alpha virt. eigenvalues --    1.28588   1.29035   1.29113   1.29806   1.30330
 Alpha virt. eigenvalues --    1.30846   1.31775   1.32214   1.32474   1.32636
 Alpha virt. eigenvalues --    1.32822   1.33225   1.33783   1.34062   1.34896
 Alpha virt. eigenvalues --    1.34904   1.35415   1.36345   1.36359   1.36439
 Alpha virt. eigenvalues --    1.37336   1.37428   1.37831   1.38085   1.38727
 Alpha virt. eigenvalues --    1.39483   1.39717   1.40189   1.40379   1.40983
 Alpha virt. eigenvalues --    1.41739   1.42262   1.42378   1.43543   1.43639
 Alpha virt. eigenvalues --    1.44207   1.44608   1.44701   1.45508   1.45742
 Alpha virt. eigenvalues --    1.46602   1.46701   1.47602   1.47681   1.48711
 Alpha virt. eigenvalues --    1.48777   1.49044   1.49828   1.50535   1.50674
 Alpha virt. eigenvalues --    1.51054   1.51618   1.52514   1.52753   1.52779
 Alpha virt. eigenvalues --    1.53436   1.54325   1.54434   1.54582   1.54601
 Alpha virt. eigenvalues --    1.55485   1.55664   1.55762   1.56451   1.56717
 Alpha virt. eigenvalues --    1.56878   1.57025   1.57650   1.57926   1.59015
 Alpha virt. eigenvalues --    1.59493   1.59739   1.60116   1.60282   1.60453
 Alpha virt. eigenvalues --    1.60540   1.61074   1.61227   1.62176   1.62419
 Alpha virt. eigenvalues --    1.62503   1.63298   1.63393   1.63600   1.63919
 Alpha virt. eigenvalues --    1.64253   1.64333   1.64540   1.64697   1.65350
 Alpha virt. eigenvalues --    1.65735   1.66646   1.66769   1.66986   1.67366
 Alpha virt. eigenvalues --    1.67481   1.68101   1.68589   1.68615   1.69347
 Alpha virt. eigenvalues --    1.69647   1.70047   1.70811   1.70924   1.71426
 Alpha virt. eigenvalues --    1.72148   1.72428   1.72900   1.73008   1.73838
 Alpha virt. eigenvalues --    1.73864   1.74243   1.75516   1.75555   1.75990
 Alpha virt. eigenvalues --    1.76097   1.76204   1.76604   1.77142   1.77153
 Alpha virt. eigenvalues --    1.77566   1.77884   1.78496   1.78554   1.78674
 Alpha virt. eigenvalues --    1.79017   1.79808   1.79945   1.80348   1.80696
 Alpha virt. eigenvalues --    1.81293   1.81456   1.81783   1.82163   1.82928
 Alpha virt. eigenvalues --    1.83022   1.83255   1.84092   1.84339   1.85183
 Alpha virt. eigenvalues --    1.85207   1.85296   1.86134   1.86185   1.86754
 Alpha virt. eigenvalues --    1.87001   1.87370   1.87380   1.88009   1.88294
 Alpha virt. eigenvalues --    1.88800   1.88939   1.89274   1.89365   1.90089
 Alpha virt. eigenvalues --    1.90108   1.90901   1.91701   1.92151   1.92544
 Alpha virt. eigenvalues --    1.93391   1.93399   1.93809   1.94290   1.94396
 Alpha virt. eigenvalues --    1.95047   1.95123   1.95433   1.96417   1.96519
 Alpha virt. eigenvalues --    1.96598   1.97050   1.97990   1.98326   1.98781
 Alpha virt. eigenvalues --    1.99061   1.99460   2.00221   2.00234   2.01307
 Alpha virt. eigenvalues --    2.01820   2.02168   2.02441   2.03443   2.04085
 Alpha virt. eigenvalues --    2.04605   2.04680   2.05182   2.05509   2.05862
 Alpha virt. eigenvalues --    2.06025   2.07164   2.07165   2.07886   2.08323
 Alpha virt. eigenvalues --    2.08967   2.09063   2.09508   2.09879   2.10164
 Alpha virt. eigenvalues --    2.11168   2.11961   2.12315   2.12619   2.12994
 Alpha virt. eigenvalues --    2.13539   2.13703   2.13731   2.15483   2.15905
 Alpha virt. eigenvalues --    2.16583   2.17703   2.18100   2.18148   2.18214
 Alpha virt. eigenvalues --    2.18583   2.18791   2.19194   2.19344   2.19851
 Alpha virt. eigenvalues --    2.19856   2.20814   2.21346   2.21848   2.22025
 Alpha virt. eigenvalues --    2.22595   2.22778   2.23155   2.24103   2.24210
 Alpha virt. eigenvalues --    2.24675   2.25427   2.26639   2.26765   2.27104
 Alpha virt. eigenvalues --    2.27961   2.28585   2.28606   2.28873   2.29313
 Alpha virt. eigenvalues --    2.30838   2.31370   2.31741   2.31976   2.32551
 Alpha virt. eigenvalues --    2.33012   2.34799   2.35118   2.35432   2.35802
 Alpha virt. eigenvalues --    2.36133   2.36616   2.37281   2.37605   2.38624
 Alpha virt. eigenvalues --    2.38767   2.39257   2.39572   2.39916   2.40268
 Alpha virt. eigenvalues --    2.41306   2.41358   2.42101   2.42152   2.42990
 Alpha virt. eigenvalues --    2.43145   2.44066   2.44348   2.45519   2.45536
 Alpha virt. eigenvalues --    2.46985   2.47523   2.48302   2.48425   2.49007
 Alpha virt. eigenvalues --    2.49127   2.49417   2.49480   2.50559   2.51415
 Alpha virt. eigenvalues --    2.52149   2.52350   2.52917   2.53115   2.54187
 Alpha virt. eigenvalues --    2.54948   2.56144   2.56203   2.56683   2.56759
 Alpha virt. eigenvalues --    2.57311   2.57915   2.59069   2.59352   2.60251
 Alpha virt. eigenvalues --    2.60386   2.61139   2.61742   2.61785   2.61881
 Alpha virt. eigenvalues --    2.62207   2.64733   2.64797   2.65008   2.65485
 Alpha virt. eigenvalues --    2.66691   2.67273   2.68191   2.68476   2.69614
 Alpha virt. eigenvalues --    2.69917   2.70563   2.70586   2.72355   2.72489
 Alpha virt. eigenvalues --    2.73377   2.73647   2.74378   2.75043   2.76400
 Alpha virt. eigenvalues --    2.77320   2.80500   2.80615   2.81172   2.82322
 Alpha virt. eigenvalues --    2.83938   2.84357   2.85535   2.86070   2.86571
 Alpha virt. eigenvalues --    2.89123   2.89735   2.91311   2.92383   2.93804
 Alpha virt. eigenvalues --    2.94026   2.94286   2.97230   2.97868   3.00169
 Alpha virt. eigenvalues --    3.01196   3.02151   3.03622   3.05271   3.08760
 Alpha virt. eigenvalues --    3.11882   3.12461   3.18937   3.19104   3.20641
 Alpha virt. eigenvalues --    3.21386   3.23376   3.25030   3.28022   3.28401
 Alpha virt. eigenvalues --    3.29694   3.32313   3.33739   3.35992   3.39530
 Alpha virt. eigenvalues --    3.40939   3.42003   3.42925   3.44970   3.45259
 Alpha virt. eigenvalues --    3.45399   3.47756   3.48599   3.50766   3.51978
 Alpha virt. eigenvalues --    3.52469   3.54375   3.55324   3.55562   3.59133
 Alpha virt. eigenvalues --    3.60079   3.61718   3.63097   3.64637   3.64715
 Alpha virt. eigenvalues --    3.67406   3.69586   3.72831   3.74424   3.76855
 Alpha virt. eigenvalues --    3.79773   3.88342   3.88810   3.95402   3.99132
 Alpha virt. eigenvalues --    4.01843   4.09730   4.12547   4.18405   4.26480
 Alpha virt. eigenvalues --    4.33183   4.33271   4.39009   4.40741   4.51374
 Alpha virt. eigenvalues --    4.51396   4.54514   4.54562   4.54902   4.55167
 Alpha virt. eigenvalues --    4.56141   4.56942   4.57492   4.57630   4.60034
 Alpha virt. eigenvalues --    4.60063   4.61124   4.62037   4.62765   4.63678
 Alpha virt. eigenvalues --    4.66641   4.66673   4.68757   4.69759   4.72398
 Alpha virt. eigenvalues --    4.73567   4.75301   4.75504   4.80924   4.81332
 Alpha virt. eigenvalues --    4.83389   4.83923   4.88605   4.88879   5.01920
 Alpha virt. eigenvalues --    5.02202   5.48599   5.51429   5.84662   6.03831
 Alpha virt. eigenvalues --    6.07114   6.10236   6.12078   6.52862   6.54690
  Beta  occ. eigenvalues -- -321.66189 -38.44390 -33.73807 -33.73659 -33.73174
  Beta  occ. eigenvalues --  -24.41858 -24.41857 -24.41766 -24.41765 -24.41745
  Beta  occ. eigenvalues --  -24.41744 -18.89694 -18.89693 -18.88947 -18.88946
  Beta  occ. eigenvalues --  -10.22781 -10.22780 -10.08220 -10.08219 -10.07487
  Beta  occ. eigenvalues --  -10.07486 -10.01067 -10.01066 -10.01061 -10.01059
  Beta  occ. eigenvalues --  -10.00169 -10.00168  -9.99313  -9.99312  -9.99292
  Beta  occ. eigenvalues --   -9.99291  -9.98666  -9.98666  -9.97958  -9.97957
  Beta  occ. eigenvalues --   -9.97771  -9.97770  -9.97566  -9.97566  -4.26940
  Beta  occ. eigenvalues --   -2.80682  -2.80469  -2.79875  -1.32610  -1.32609
  Beta  occ. eigenvalues --   -1.23869  -1.23868  -1.23565  -1.23565  -1.08957
  Beta  occ. eigenvalues --   -1.08556  -1.07135  -1.06987  -0.93598  -0.93557
  Beta  occ. eigenvalues --   -0.83179  -0.83087  -0.81017  -0.81012  -0.79604
  Beta  occ. eigenvalues --   -0.79490  -0.77789  -0.77741  -0.73018  -0.73004
  Beta  occ. eigenvalues --   -0.71956  -0.71942  -0.71278  -0.71255  -0.67367
  Beta  occ. eigenvalues --   -0.67360  -0.65087  -0.64605  -0.64196  -0.64196
  Beta  occ. eigenvalues --   -0.63513  -0.63449  -0.61338  -0.61253  -0.59335
  Beta  occ. eigenvalues --   -0.57430  -0.57277  -0.56871  -0.55293  -0.55150
  Beta  occ. eigenvalues --   -0.53945  -0.53939  -0.53404  -0.53383  -0.52129
  Beta  occ. eigenvalues --   -0.51813  -0.51386  -0.51111  -0.51070  -0.50618
  Beta  occ. eigenvalues --   -0.50572  -0.50471  -0.48724  -0.48640  -0.47930
  Beta  occ. eigenvalues --   -0.47730  -0.47308  -0.47151  -0.46854  -0.46837
  Beta  occ. eigenvalues --   -0.46505  -0.46473  -0.45575  -0.45289  -0.45151
  Beta  occ. eigenvalues --   -0.45096  -0.45028  -0.44947  -0.44653  -0.44436
  Beta  occ. eigenvalues --   -0.44152  -0.44111  -0.43624  -0.43471  -0.43102
  Beta  occ. eigenvalues --   -0.42845  -0.41465  -0.40591  -0.40350  -0.40129
  Beta  occ. eigenvalues --   -0.40025  -0.39739  -0.39138  -0.39062  -0.38663
  Beta  occ. eigenvalues --   -0.38318  -0.38275  -0.36609  -0.36562  -0.36122
  Beta  occ. eigenvalues --   -0.36099  -0.35606  -0.35296  -0.35292  -0.34049
  Beta  occ. eigenvalues --   -0.31830  -0.30294  -0.28847
  Beta virt. eigenvalues --   -0.08320  -0.02214  -0.02027   0.02123   0.02516
  Beta virt. eigenvalues --    0.02864   0.03268   0.03396   0.03741   0.03862
  Beta virt. eigenvalues --    0.04629   0.04654   0.05100   0.05239   0.05311
  Beta virt. eigenvalues --    0.05649   0.05758   0.05777   0.06304   0.06822
  Beta virt. eigenvalues --    0.07027   0.07400   0.07528   0.07755   0.07889
  Beta virt. eigenvalues --    0.08032   0.08042   0.08269   0.08791   0.08960
  Beta virt. eigenvalues --    0.08962   0.09330   0.09372   0.09675   0.09731
  Beta virt. eigenvalues --    0.09904   0.10189   0.10449   0.10799   0.10919
  Beta virt. eigenvalues --    0.11155   0.11469   0.11686   0.11850   0.12173
  Beta virt. eigenvalues --    0.12182   0.12424   0.12429   0.12777   0.12949
  Beta virt. eigenvalues --    0.13072   0.13222   0.13386   0.13455   0.13574
  Beta virt. eigenvalues --    0.13621   0.13758   0.14005   0.14101   0.14418
  Beta virt. eigenvalues --    0.14503   0.14721   0.15020   0.15059   0.15362
  Beta virt. eigenvalues --    0.15538   0.15780   0.15823   0.16315   0.16338
  Beta virt. eigenvalues --    0.16530   0.16767   0.16879   0.16960   0.17098
  Beta virt. eigenvalues --    0.17314   0.17328   0.17489   0.17633   0.17956
  Beta virt. eigenvalues --    0.18303   0.18380   0.18539   0.18675   0.18891
  Beta virt. eigenvalues --    0.19030   0.19319   0.19363   0.19517   0.19533
  Beta virt. eigenvalues --    0.19900   0.20006   0.20037   0.20420   0.20460
  Beta virt. eigenvalues --    0.20675   0.20807   0.21221   0.21242   0.21444
  Beta virt. eigenvalues --    0.21658   0.21820   0.21923   0.22213   0.22324
  Beta virt. eigenvalues --    0.22592   0.22595   0.22782   0.22936   0.23121
  Beta virt. eigenvalues --    0.23131   0.23416   0.23438   0.23641   0.23647
  Beta virt. eigenvalues --    0.24169   0.24330   0.24380   0.24490   0.24914
  Beta virt. eigenvalues --    0.25001   0.25050   0.25057   0.25352   0.25673
  Beta virt. eigenvalues --    0.25859   0.25891   0.26120   0.26526   0.26547
  Beta virt. eigenvalues --    0.26666   0.26854   0.26978   0.27510   0.27529
  Beta virt. eigenvalues --    0.27797   0.28025   0.28077   0.28365   0.28472
  Beta virt. eigenvalues --    0.28702   0.28797   0.28924   0.29164   0.29537
  Beta virt. eigenvalues --    0.29659   0.29954   0.29993   0.30269   0.30525
  Beta virt. eigenvalues --    0.30874   0.31127   0.31161   0.31304   0.31326
  Beta virt. eigenvalues --    0.31658   0.31825   0.32059   0.32285   0.32344
  Beta virt. eigenvalues --    0.33014   0.33169   0.33272   0.33389   0.33526
  Beta virt. eigenvalues --    0.33648   0.33737   0.33841   0.34184   0.34248
  Beta virt. eigenvalues --    0.34323   0.34360   0.34832   0.34867   0.34904
  Beta virt. eigenvalues --    0.35261   0.35400   0.35580   0.35865   0.36321
  Beta virt. eigenvalues --    0.36366   0.36745   0.36766   0.37003   0.37066
  Beta virt. eigenvalues --    0.37141   0.37490   0.37776   0.37998   0.38107
  Beta virt. eigenvalues --    0.38336   0.38452   0.38574   0.38601   0.39023
  Beta virt. eigenvalues --    0.39295   0.39398   0.39522   0.39916   0.39981
  Beta virt. eigenvalues --    0.40091   0.40670   0.40781   0.40889   0.40964
  Beta virt. eigenvalues --    0.41327   0.41396   0.41742   0.41755   0.41805
  Beta virt. eigenvalues --    0.42082   0.42144   0.42409   0.42880   0.42889
  Beta virt. eigenvalues --    0.43267   0.43275   0.43679   0.43744   0.44116
  Beta virt. eigenvalues --    0.44151   0.44569   0.44824   0.44960   0.45068
  Beta virt. eigenvalues --    0.45227   0.45301   0.45478   0.45691   0.45709
  Beta virt. eigenvalues --    0.46059   0.46395   0.46473   0.46583   0.46968
  Beta virt. eigenvalues --    0.47076   0.47245   0.47712   0.47731   0.48157
  Beta virt. eigenvalues --    0.48308   0.48459   0.48764   0.49138   0.49242
  Beta virt. eigenvalues --    0.49750   0.50014   0.50073   0.50849   0.51098
  Beta virt. eigenvalues --    0.51187   0.51298   0.51526   0.51554   0.51788
  Beta virt. eigenvalues --    0.51889   0.52139   0.52950   0.53254   0.53568
  Beta virt. eigenvalues --    0.54074   0.54205   0.54210   0.54370   0.54929
  Beta virt. eigenvalues --    0.55159   0.55484   0.55739   0.55974   0.56267
  Beta virt. eigenvalues --    0.56490   0.56727   0.56906   0.56935   0.57218
  Beta virt. eigenvalues --    0.57566   0.57672   0.57866   0.58343   0.58377
  Beta virt. eigenvalues --    0.58846   0.59032   0.59040   0.59250   0.59745
  Beta virt. eigenvalues --    0.59885   0.60298   0.60333   0.60855   0.61108
  Beta virt. eigenvalues --    0.61363   0.61464   0.61501   0.61616   0.62052
  Beta virt. eigenvalues --    0.62073   0.62311   0.62422   0.62739   0.63259
  Beta virt. eigenvalues --    0.63350   0.63416   0.63485   0.63730   0.64113
  Beta virt. eigenvalues --    0.64260   0.64361   0.64512   0.64755   0.65200
  Beta virt. eigenvalues --    0.65385   0.65490   0.65944   0.66067   0.66190
  Beta virt. eigenvalues --    0.66508   0.66599   0.67048   0.67124   0.67441
  Beta virt. eigenvalues --    0.67459   0.67918   0.67936   0.68119   0.68596
  Beta virt. eigenvalues --    0.68664   0.68808   0.68885   0.69539   0.69541
  Beta virt. eigenvalues --    0.69751   0.70090   0.70491   0.70690   0.70887
  Beta virt. eigenvalues --    0.70976   0.71253   0.71409   0.71581   0.71759
  Beta virt. eigenvalues --    0.71925   0.72053   0.72396   0.73060   0.73760
  Beta virt. eigenvalues --    0.73939   0.73965   0.74143   0.74572   0.74664
  Beta virt. eigenvalues --    0.74707   0.74738   0.75208   0.75437   0.75532
  Beta virt. eigenvalues --    0.75922   0.75981   0.76285   0.76405   0.76709
  Beta virt. eigenvalues --    0.76802   0.77217   0.77650   0.78212   0.78231
  Beta virt. eigenvalues --    0.78303   0.78656   0.79035   0.79374   0.79548
  Beta virt. eigenvalues --    0.79960   0.80326   0.80409   0.80790   0.81027
  Beta virt. eigenvalues --    0.81115   0.81130   0.81626   0.81785   0.81864
  Beta virt. eigenvalues --    0.82158   0.82174   0.82764   0.82873   0.83315
  Beta virt. eigenvalues --    0.83379   0.83601   0.83915   0.83967   0.84407
  Beta virt. eigenvalues --    0.84908   0.84978   0.85110   0.85308   0.85508
  Beta virt. eigenvalues --    0.85912   0.85987   0.86508   0.86841   0.87031
  Beta virt. eigenvalues --    0.87391   0.87591   0.88082   0.88110   0.88162
  Beta virt. eigenvalues --    0.88391   0.88618   0.88975   0.89966   0.90334
  Beta virt. eigenvalues --    0.90445   0.90576   0.90658   0.91225   0.91288
  Beta virt. eigenvalues --    0.91769   0.92040   0.92464   0.92495   0.93223
  Beta virt. eigenvalues --    0.93290   0.93654   0.93904   0.94276   0.94450
  Beta virt. eigenvalues --    0.95604   0.95845   0.96050   0.96063   0.96695
  Beta virt. eigenvalues --    0.96802   0.97224   0.97867   0.98168   0.98607
  Beta virt. eigenvalues --    0.98622   0.99265   1.00008   1.00187   1.00378
  Beta virt. eigenvalues --    1.01408   1.01815   1.02436   1.02750   1.02756
  Beta virt. eigenvalues --    1.03158   1.03637   1.04207   1.04291   1.04399
  Beta virt. eigenvalues --    1.05162   1.05263   1.06073   1.06551   1.06903
  Beta virt. eigenvalues --    1.07062   1.08189   1.08617   1.09036   1.09466
  Beta virt. eigenvalues --    1.09649   1.10189   1.10328   1.10420   1.10647
  Beta virt. eigenvalues --    1.11739   1.12286   1.12813   1.12937   1.14024
  Beta virt. eigenvalues --    1.14044   1.14461   1.14859   1.15325   1.15465
  Beta virt. eigenvalues --    1.15790   1.15878   1.16159   1.17528   1.17678
  Beta virt. eigenvalues --    1.18083   1.18480   1.18558   1.19682   1.20091
  Beta virt. eigenvalues --    1.20767   1.20841   1.21090   1.21734   1.21991
  Beta virt. eigenvalues --    1.22049   1.22806   1.22958   1.23390   1.23843
  Beta virt. eigenvalues --    1.24026   1.24875   1.25120   1.25300   1.25391
  Beta virt. eigenvalues --    1.25897   1.26503   1.26814   1.27005   1.27486
  Beta virt. eigenvalues --    1.28497   1.28619   1.29056   1.29135   1.29833
  Beta virt. eigenvalues --    1.30347   1.30882   1.31788   1.32231   1.32512
  Beta virt. eigenvalues --    1.32665   1.32852   1.33276   1.33833   1.34113
  Beta virt. eigenvalues --    1.34935   1.34940   1.35441   1.36368   1.36378
  Beta virt. eigenvalues --    1.36450   1.37355   1.37468   1.37854   1.38178
  Beta virt. eigenvalues --    1.38757   1.39552   1.39751   1.40214   1.40401
  Beta virt. eigenvalues --    1.41019   1.41788   1.42289   1.42416   1.43577
  Beta virt. eigenvalues --    1.43667   1.44225   1.44627   1.44725   1.45522
  Beta virt. eigenvalues --    1.45783   1.46621   1.46747   1.47614   1.47695
  Beta virt. eigenvalues --    1.48755   1.48819   1.49105   1.49870   1.50565
  Beta virt. eigenvalues --    1.50704   1.51082   1.51697   1.52550   1.52765
  Beta virt. eigenvalues --    1.52813   1.53453   1.54341   1.54456   1.54608
  Beta virt. eigenvalues --    1.54633   1.55499   1.55689   1.55775   1.56466
  Beta virt. eigenvalues --    1.56755   1.56889   1.57039   1.57672   1.57956
  Beta virt. eigenvalues --    1.59045   1.59532   1.59752   1.60140   1.60301
  Beta virt. eigenvalues --    1.60474   1.60555   1.61094   1.61257   1.62209
  Beta virt. eigenvalues --    1.62436   1.62535   1.63322   1.63426   1.63622
  Beta virt. eigenvalues --    1.63941   1.64268   1.64346   1.64557   1.64741
  Beta virt. eigenvalues --    1.65373   1.65766   1.66663   1.66809   1.67028
  Beta virt. eigenvalues --    1.67399   1.67511   1.68130   1.68611   1.68638
  Beta virt. eigenvalues --    1.69385   1.69666   1.70114   1.70866   1.70952
  Beta virt. eigenvalues --    1.71440   1.72161   1.72480   1.72916   1.73090
  Beta virt. eigenvalues --    1.73867   1.73893   1.74270   1.75553   1.75576
  Beta virt. eigenvalues --    1.76041   1.76127   1.76229   1.76644   1.77158
  Beta virt. eigenvalues --    1.77172   1.77600   1.77910   1.78539   1.78574
  Beta virt. eigenvalues --    1.78715   1.79058   1.79835   1.79976   1.80363
  Beta virt. eigenvalues --    1.80724   1.81370   1.81494   1.81825   1.82184
  Beta virt. eigenvalues --    1.83004   1.83055   1.83294   1.84181   1.84378
  Beta virt. eigenvalues --    1.85206   1.85232   1.85321   1.86189   1.86221
  Beta virt. eigenvalues --    1.86772   1.87023   1.87393   1.87426   1.88052
  Beta virt. eigenvalues --    1.88350   1.88829   1.88966   1.89301   1.89395
  Beta virt. eigenvalues --    1.90116   1.90120   1.90935   1.91748   1.92186
  Beta virt. eigenvalues --    1.92573   1.93426   1.93441   1.93864   1.94314
  Beta virt. eigenvalues --    1.94428   1.95095   1.95149   1.95458   1.96464
  Beta virt. eigenvalues --    1.96542   1.96633   1.97079   1.98037   1.98376
  Beta virt. eigenvalues --    1.98821   1.99107   1.99478   2.00254   2.00269
  Beta virt. eigenvalues --    2.01333   2.01840   2.02198   2.02479   2.03467
  Beta virt. eigenvalues --    2.04121   2.04675   2.04709   2.05221   2.05544
  Beta virt. eigenvalues --    2.05916   2.06039   2.07206   2.07235   2.07930
  Beta virt. eigenvalues --    2.08348   2.08992   2.09083   2.09539   2.09994
  Beta virt. eigenvalues --    2.10196   2.11234   2.11986   2.12381   2.12659
  Beta virt. eigenvalues --    2.13055   2.13584   2.13736   2.13746   2.15504
  Beta virt. eigenvalues --    2.15974   2.16645   2.17726   2.18161   2.18190
  Beta virt. eigenvalues --    2.18230   2.18622   2.18828   2.19210   2.19399
  Beta virt. eigenvalues --    2.19875   2.19880   2.20869   2.21382   2.21883
  Beta virt. eigenvalues --    2.22055   2.22653   2.22808   2.23185   2.24171
  Beta virt. eigenvalues --    2.24243   2.24695   2.25449   2.26655   2.26796
  Beta virt. eigenvalues --    2.27159   2.28002   2.28624   2.28632   2.28893
  Beta virt. eigenvalues --    2.29364   2.30898   2.31464   2.31761   2.32042
  Beta virt. eigenvalues --    2.32578   2.33037   2.34820   2.35127   2.35449
  Beta virt. eigenvalues --    2.35846   2.36154   2.36665   2.37321   2.37636
  Beta virt. eigenvalues --    2.38676   2.38796   2.39289   2.39599   2.39953
  Beta virt. eigenvalues --    2.40288   2.41356   2.41377   2.42139   2.42205
  Beta virt. eigenvalues --    2.43129   2.43160   2.44152   2.44371   2.45536
  Beta virt. eigenvalues --    2.45590   2.47063   2.47548   2.48329   2.48456
  Beta virt. eigenvalues --    2.49110   2.49147   2.49436   2.49610   2.50613
  Beta virt. eigenvalues --    2.51449   2.52244   2.52370   2.52945   2.53194
  Beta virt. eigenvalues --    2.54213   2.54969   2.56161   2.56247   2.56698
  Beta virt. eigenvalues --    2.56926   2.57331   2.57943   2.59108   2.59379
  Beta virt. eigenvalues --    2.60299   2.60414   2.61160   2.61796   2.61849
  Beta virt. eigenvalues --    2.62068   2.62454   2.64796   2.64819   2.65034
  Beta virt. eigenvalues --    2.65536   2.66714   2.67323   2.68201   2.68661
  Beta virt. eigenvalues --    2.69735   2.69928   2.70579   2.70596   2.72380
  Beta virt. eigenvalues --    2.72527   2.73437   2.73695   2.74401   2.75086
  Beta virt. eigenvalues --    2.76546   2.77350   2.80576   2.80653   2.81248
  Beta virt. eigenvalues --    2.82347   2.83980   2.84371   2.85563   2.86242
  Beta virt. eigenvalues --    2.86676   2.89221   2.89744   2.91406   2.92409
  Beta virt. eigenvalues --    2.93828   2.94067   2.94309   2.97275   2.97896
  Beta virt. eigenvalues --    3.00236   3.01219   3.02199   3.03666   3.05468
  Beta virt. eigenvalues --    3.09696   3.11933   3.12505   3.19223   3.19297
  Beta virt. eigenvalues --    3.21413   3.21771   3.24348   3.25404   3.28223
  Beta virt. eigenvalues --    3.28543   3.30079   3.32513   3.33935   3.36195
  Beta virt. eigenvalues --    3.39686   3.41422   3.42268   3.43102   3.45275
  Beta virt. eigenvalues --    3.45465   3.45662   3.47889   3.48940   3.51104
  Beta virt. eigenvalues --    3.52229   3.52785   3.55516   3.55679   3.56285
  Beta virt. eigenvalues --    3.59947   3.60521   3.62224   3.63545   3.65114
  Beta virt. eigenvalues --    3.65392   3.67864   3.70115   3.73221   3.74753
  Beta virt. eigenvalues --    3.77250   3.80076   3.88754   3.89333   3.95575
  Beta virt. eigenvalues --    3.99506   4.02781   4.09989   4.12929   4.18636
  Beta virt. eigenvalues --    4.27547   4.33362   4.33420   4.39438   4.40948
  Beta virt. eigenvalues --    4.51379   4.51401   4.54517   4.54566   4.54913
  Beta virt. eigenvalues --    4.55174   4.56156   4.56966   4.57497   4.57637
  Beta virt. eigenvalues --    4.60046   4.60076   4.61135   4.62062   4.62775
  Beta virt. eigenvalues --    4.63695   4.66653   4.66686   4.68785   4.69804
  Beta virt. eigenvalues --    4.72415   4.73629   4.75303   4.75507   4.80934
  Beta virt. eigenvalues --    4.81348   4.83400   4.83933   4.88613   4.88891
  Beta virt. eigenvalues --    5.01943   5.02244   5.48655   5.51482   5.85154
  Beta virt. eigenvalues --    6.05314   6.10316   6.11327   6.13198   6.56674
  Beta virt. eigenvalues --    6.58479
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    1.145679  -0.000036
     2  C    2.183651  -0.001273
     3  C    0.681527   0.010604
     4  C   -0.563199  -0.016499
     5  C   -0.576080   0.020774
     6  C    1.725844  -0.002278
     7  C   -4.256194   0.000218
     8  O   -0.404910   0.110683
     9  Cu   0.547109   0.530259
    10  O   -0.468315   0.106652
    11  C   -0.181955  -0.014405
    12  C    1.444088   0.014621
    13  F   -0.420246   0.001002
    14  C    1.494280   0.000448
    15  C    2.123036   0.001035
    16  C    1.889031  -0.000677
    17  O   -0.405153   0.110721
    18  C   -0.562736  -0.016464
    19  C   -0.574694   0.020764
    20  C   -4.257355   0.000228
    21  C    2.183916  -0.001271
    22  C    0.681466   0.010595
    23  C    1.145673  -0.000036
    24  C    1.726357  -0.002271
    25  C    1.889725  -0.000676
    26  C    2.121884   0.001035
    27  C    1.493594   0.000449
    28  C   -0.181501  -0.014402
    29  C    1.443777   0.014619
    30  F   -0.420285   0.000999
    31  O   -0.468930   0.106611
    32  F   -0.443105   0.001206
    33  F   -0.450197  -0.000185
    34  F   -0.450195  -0.000184
    35  F   -0.443131   0.001205
    36  H   -0.502003   0.000265
    37  H   -0.575216   0.000655
    38  H   -0.502438  -0.000045
    39  H   -0.611602  -0.000054
    40  H   -1.225115   0.000579
    41  H   -0.248556   0.000211
    42  H   -0.251804  -0.000151
    43  H   -0.229409   0.000001
    44  H   -0.380691  -0.000080
    45  H   -0.154433   0.000302
    46  H   -0.165078  -0.000066
    47  H   -0.118369   0.000564
    48  H   -0.210933  -0.000077
    49  H   -0.020659   0.000864
    50  H   -0.251596  -0.000152
    51  H   -0.248988   0.000212
    52  H   -0.229546   0.000001
    53  H   -0.164499  -0.000066
    54  H   -0.154849   0.000303
    55  H   -0.380843  -0.000079
    56  H   -0.502150  -0.000044
    57  H   -0.611543  -0.000054
    58  H   -0.574980   0.000654
    59  H   -0.501657   0.000263
    60  H   -1.224961   0.000578
    61  H   -0.210849  -0.000078
    62  H   -0.118181   0.000562
    63  H   -0.021504   0.000863
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.031986  -0.000135
     2  C    0.958690  -0.000695
     3  C    0.681527   0.010604
     4  C   -0.563199  -0.016499
     5  C   -0.576080   0.020774
     6  C    0.649206  -0.001361
     7  C   -4.256194   0.000218
     8  O   -0.404910   0.110683
     9  Cu   0.547109   0.530259
    10  O   -0.468315   0.106652
    11  C   -0.181955  -0.014405
    12  C    1.444088   0.014621
    13  F   -0.420246   0.001002
    14  C    1.143744   0.001796
    15  C    1.422845   0.001193
    16  C    1.158902  -0.000616
    17  O   -0.405153   0.110721
    18  C   -0.562736  -0.016464
    19  C   -0.574694   0.020764
    20  C   -4.257355   0.000228
    21  C    0.958801  -0.000692
    22  C    0.681466   0.010595
    23  C    0.031633  -0.000135
    24  C    0.649137  -0.001351
    25  C    1.159957  -0.000615
    26  C    1.421683   0.001191
    27  C    1.143632   0.001800
    28  C   -0.181501  -0.014402
    29  C    1.443777   0.014619
    30  F   -0.420285   0.000999
    31  O   -0.468930   0.106611
    32  F   -0.443105   0.001206
    33  F   -0.450197  -0.000185
    34  F   -0.450195  -0.000184
    35  F   -0.443131   0.001205
 Electronic spatial extent (au):  <R**2>=          19800.8232
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0014    Y=             -0.0015    Z=              0.7247  Tot=              0.7247
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -183.8249   YY=           -224.3143   ZZ=           -208.7789
   XY=             20.8081   XZ=              0.0056   YZ=              0.0011
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             21.8145   YY=            -18.6749   ZZ=             -3.1396
   XY=             20.8081   XZ=              0.0056   YZ=              0.0011
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0408  YYY=              0.0114  ZZZ=            -25.3670  XYY=              0.0007
  XXY=             -0.0034  XXZ=              6.3832  XZZ=             -0.0053  YZZ=              0.0070
  YYZ=             -0.2072  XYZ=             -5.7148
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18186.0401 YYYY=          -5312.0552 ZZZZ=          -1573.1449 XXXY=            -92.7568
 XXXZ=              0.0972 YYYX=           -224.4678 YYYZ=              0.0057 ZZZX=             -0.0035
 ZZZY=             -0.0205 XXYY=          -4056.1686 XXZZ=          -3409.7983 YYZZ=          -1127.8390
 XXYZ=             -0.0252 YYXZ=              0.0094 ZZXY=           -110.8141
 N-N= 4.927474494640D+03 E-N=-1.806982840639D+04  KE= 3.456718831646D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00009      -0.09609      -0.03429      -0.03205
     2  C(13)             -0.00046      -0.51712      -0.18452      -0.17249
     3  C(13)             -0.00074      -0.83506      -0.29797      -0.27854
     4  C(13)             -0.00360      -4.04752      -1.44426      -1.35011
     5  C(13)              0.00910      10.22748       3.64942       3.41152
     6  C(13)             -0.00063      -0.70915      -0.25304      -0.23655
     7  C(13)             -0.00031      -0.35123      -0.12533      -0.11716
     8  O(17)              0.06104     -37.00390     -13.20391     -12.34317
     9  Cu(63)             0.02351      27.88692       9.95075       9.30207
    10  O(17)              0.06178     -37.44967     -13.36297     -12.49187
    11  C(13)              0.00140       1.57410       0.56168       0.52506
    12  C(13)              0.01852      20.81629       7.42777       6.94357
    13  F(19)              0.00100       4.20077       1.49894       1.40123
    14  C(13)             -0.00045      -0.50532      -0.18031      -0.16856
    15  C(13)              0.00043       0.48179       0.17191       0.16071
    16  C(13)              0.00001       0.01250       0.00446       0.00417
    17  O(17)              0.06106     -37.01733     -13.20870     -12.34765
    18  C(13)             -0.00360      -4.04972      -1.44504      -1.35084
    19  C(13)              0.00910      10.22957       3.65017       3.41222
    20  C(13)             -0.00031      -0.35212      -0.12564      -0.11745
    21  C(13)             -0.00046      -0.51696      -0.18446      -0.17244
    22  C(13)             -0.00074      -0.83450      -0.29777      -0.27836
    23  C(13)             -0.00009      -0.09635      -0.03438      -0.03214
    24  C(13)             -0.00063      -0.70789      -0.25259      -0.23613
    25  C(13)              0.00001       0.01254       0.00447       0.00418
    26  C(13)              0.00043       0.48217       0.17205       0.16083
    27  C(13)             -0.00045      -0.50517      -0.18026      -0.16850
    28  C(13)              0.00140       1.57755       0.56291       0.52621
    29  C(13)              0.01851      20.81139       7.42602       6.94193
    30  F(19)              0.00099       4.18638       1.49381       1.39643
    31  O(17)              0.06177     -37.44592     -13.36164     -12.49062
    32  F(19)              0.00140       5.88517       2.09997       1.96308
    33  F(19)             -0.00021      -0.89589      -0.31968      -0.29884
    34  F(19)             -0.00021      -0.89629      -0.31982      -0.29897
    35  F(19)              0.00140       5.87552       2.09653       1.95986
    36  H(1)               0.00019       0.83320       0.29731       0.27793
    37  H(1)               0.00007       0.32968       0.11764       0.10997
    38  H(1)               0.00001       0.04194       0.01496       0.01399
    39  H(1)              -0.00001      -0.03917      -0.01398      -0.01306
    40  H(1)               0.00012       0.52196       0.18625       0.17411
    41  H(1)              -0.00001      -0.02275      -0.00812      -0.00759
    42  H(1)               0.00000       0.01148       0.00410       0.00383
    43  H(1)              -0.00000      -0.00566      -0.00202      -0.00189
    44  H(1)              -0.00001      -0.02651      -0.00946      -0.00884
    45  H(1)               0.00009       0.38928       0.13891       0.12985
    46  H(1)               0.00000       0.00569       0.00203       0.00190
    47  H(1)              -0.00001      -0.02664      -0.00951      -0.00889
    48  H(1)               0.00005       0.20768       0.07410       0.06927
    49  H(1)               0.00001       0.03542       0.01264       0.01182
    50  H(1)               0.00000       0.01173       0.00419       0.00391
    51  H(1)              -0.00001      -0.02293      -0.00818      -0.00765
    52  H(1)              -0.00000      -0.00573      -0.00204      -0.00191
    53  H(1)               0.00000       0.00581       0.00207       0.00194
    54  H(1)               0.00009       0.38964       0.13903       0.12997
    55  H(1)              -0.00001      -0.02652      -0.00946      -0.00885
    56  H(1)               0.00001       0.04168       0.01487       0.01390
    57  H(1)              -0.00001      -0.03914      -0.01397      -0.01306
    58  H(1)               0.00007       0.32972       0.11765       0.10998
    59  H(1)               0.00019       0.83039       0.29630       0.27699
    60  H(1)               0.00012       0.52241       0.18641       0.17426
    61  H(1)               0.00005       0.20820       0.07429       0.06945
    62  H(1)              -0.00001      -0.02650      -0.00945      -0.00884
    63  H(1)               0.00001       0.03517       0.01255       0.01173
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001688     -0.000912     -0.000776
     2   Atom        0.002286     -0.000848     -0.001438
     3   Atom       -0.000610      0.015339     -0.014729
     4   Atom        0.022287     -0.002964     -0.019322
     5   Atom        0.019768     -0.005330     -0.014438
     6   Atom        0.001535     -0.000929     -0.000606
     7   Atom        0.002519     -0.000751     -0.001768
     8   Atom       -0.045444      0.228037     -0.182593
     9   Atom        1.575123      1.610948     -3.186071
    10   Atom       -0.147584      0.309998     -0.162414
    11   Atom        0.017182     -0.001806     -0.015376
    12   Atom       -0.003641      0.015317     -0.011676
    13   Atom       -0.001754      0.006972     -0.005218
    14   Atom        0.000741      0.000933     -0.001674
    15   Atom        0.001751     -0.000844     -0.000906
    16   Atom        0.000988     -0.001036      0.000048
    17   Atom       -0.045706      0.228311     -0.182604
    18   Atom        0.022295     -0.002956     -0.019338
    19   Atom        0.019752     -0.005307     -0.014445
    20   Atom        0.002521     -0.000754     -0.001767
    21   Atom        0.002286     -0.000849     -0.001437
    22   Atom       -0.000610      0.015340     -0.014730
    23   Atom        0.001687     -0.000912     -0.000775
    24   Atom        0.001533     -0.000930     -0.000603
    25   Atom        0.000988     -0.001035      0.000047
    26   Atom        0.001751     -0.000844     -0.000907
    27   Atom        0.000740      0.000934     -0.001674
    28   Atom        0.017181     -0.001817     -0.015364
    29   Atom       -0.003632      0.015305     -0.011674
    30   Atom       -0.001745      0.006954     -0.005208
    31   Atom       -0.147357      0.309633     -0.162276
    32   Atom        0.000319      0.004138     -0.004457
    33   Atom        0.000104      0.002219     -0.002322
    34   Atom        0.000103      0.002218     -0.002321
    35   Atom        0.000310      0.004144     -0.004454
    36   Atom        0.000875     -0.000370     -0.000505
    37   Atom        0.000964     -0.000816     -0.000148
    38   Atom        0.001056     -0.000555     -0.000501
    39   Atom        0.001281     -0.000933     -0.000349
    40   Atom        0.001842     -0.000715     -0.001128
    41   Atom        0.001093     -0.001575      0.000482
    42   Atom        0.000527     -0.000730      0.000204
    43   Atom        0.000747     -0.000668     -0.000078
    44   Atom        0.000996     -0.000449     -0.000547
    45   Atom        0.000794     -0.000378     -0.000416
    46   Atom        0.000700     -0.000320     -0.000380
    47   Atom       -0.000086      0.002187     -0.002101
    48   Atom        0.000417      0.000477     -0.000894
    49   Atom        0.000155      0.000378     -0.000533
    50   Atom        0.000526     -0.000731      0.000205
    51   Atom        0.001094     -0.001577      0.000483
    52   Atom        0.000746     -0.000669     -0.000077
    53   Atom        0.000700     -0.000321     -0.000379
    54   Atom        0.000794     -0.000378     -0.000415
    55   Atom        0.000996     -0.000449     -0.000547
    56   Atom        0.001056     -0.000555     -0.000501
    57   Atom        0.001281     -0.000931     -0.000350
    58   Atom        0.000966     -0.000817     -0.000148
    59   Atom        0.000877     -0.000371     -0.000506
    60   Atom        0.001842     -0.000714     -0.001128
    61   Atom        0.000418      0.000476     -0.000894
    62   Atom       -0.000084      0.002183     -0.002099
    63   Atom        0.000155      0.000380     -0.000535
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000211     -0.001048      0.000015
     2   Atom       -0.000474     -0.000100     -0.000013
     3   Atom       -0.002066      0.000242     -0.000942
     4   Atom        0.002448      0.001544      0.002295
     5   Atom        0.016891      0.001110      0.000632
     6   Atom        0.001182     -0.001199     -0.000475
     7   Atom       -0.000613      0.001114     -0.000105
     8   Atom        0.289815      0.065740      0.105016
     9   Atom        0.004014     -0.003619     -0.000833
    10   Atom       -0.177514     -0.038089      0.113312
    11   Atom       -0.005304     -0.000737      0.001920
    12   Atom       -0.013422     -0.001372      0.002832
    13   Atom       -0.006703      0.001962     -0.003575
    14   Atom        0.002115      0.000676      0.000771
    15   Atom        0.000534      0.000485      0.000105
    16   Atom        0.000155      0.001479      0.000018
    17   Atom        0.289805     -0.065874     -0.105238
    18   Atom        0.002463     -0.001504     -0.002274
    19   Atom        0.016915     -0.001071     -0.000613
    20   Atom       -0.000610     -0.001110      0.000102
    21   Atom       -0.000474      0.000101      0.000013
    22   Atom       -0.002081     -0.000242      0.000936
    23   Atom        0.000213      0.001050     -0.000014
    24   Atom        0.001185      0.001203      0.000478
    25   Atom        0.000154     -0.001477     -0.000018
    26   Atom        0.000536     -0.000482     -0.000105
    27   Atom        0.002116     -0.000676     -0.000772
    28   Atom       -0.005296      0.000752     -0.001940
    29   Atom       -0.013427      0.001374     -0.002834
    30   Atom       -0.006690     -0.001958      0.003563
    31   Atom       -0.177669      0.038160     -0.113403
    32   Atom       -0.009222      0.004946     -0.006348
    33   Atom       -0.001717      0.000499     -0.000690
    34   Atom       -0.001717     -0.000497      0.000693
    35   Atom       -0.009209     -0.004935      0.006341
    36   Atom        0.000900      0.000628      0.000306
    37   Atom        0.001393      0.001717      0.000915
    38   Atom        0.000095      0.000497     -0.000011
    39   Atom       -0.000027      0.001344     -0.000059
    40   Atom       -0.000494     -0.000195     -0.000049
    41   Atom        0.000053     -0.002521      0.000095
    42   Atom        0.000416     -0.001153     -0.000307
    43   Atom       -0.000081     -0.000993      0.000089
    44   Atom        0.000361      0.000010      0.000030
    45   Atom        0.000077     -0.000327      0.000007
    46   Atom        0.000457     -0.000469     -0.000196
    47   Atom        0.002332     -0.000114     -0.000151
    48   Atom        0.001164     -0.000306     -0.000374
    49   Atom        0.001680     -0.001211     -0.001593
    50   Atom        0.000417      0.001155      0.000308
    51   Atom        0.000052      0.002524     -0.000095
    52   Atom       -0.000081      0.000994     -0.000089
    53   Atom        0.000457      0.000470      0.000196
    54   Atom        0.000077      0.000328     -0.000008
    55   Atom        0.000361     -0.000009     -0.000030
    56   Atom        0.000094     -0.000495      0.000011
    57   Atom       -0.000029     -0.001342      0.000060
    58   Atom        0.001390     -0.001716     -0.000912
    59   Atom        0.000898     -0.000627     -0.000305
    60   Atom       -0.000495      0.000197      0.000049
    61   Atom        0.001164      0.000307      0.000374
    62   Atom        0.002331      0.000112      0.000148
    63   Atom        0.001681      0.001211      0.001593
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0012    -0.160    -0.057    -0.053  0.3453 -0.3106  0.8856
     1 C(13)  Bbb    -0.0009    -0.120    -0.043    -0.040  0.0496  0.9484  0.3133
              Bcc     0.0021     0.280     0.100     0.093  0.9372  0.0642 -0.3429
 
              Baa    -0.0014    -0.194    -0.069    -0.065  0.0329  0.0487  0.9983
     2 C(13)  Bbb    -0.0009    -0.123    -0.044    -0.041  0.1447  0.9881 -0.0530
              Bcc     0.0024     0.317     0.113     0.106  0.9889 -0.1462 -0.0254
 
              Baa    -0.0148    -1.981    -0.707    -0.661 -0.0127  0.0304  0.9995
     3 C(13)  Bbb    -0.0009    -0.117    -0.042    -0.039  0.9919  0.1269  0.0087
              Bcc     0.0156     2.098     0.749     0.700 -0.1266  0.9914 -0.0318
 
              Baa    -0.0197    -2.640    -0.942    -0.881 -0.0288 -0.1319  0.9908
     4 C(13)  Bbb    -0.0029    -0.392    -0.140    -0.131 -0.1036  0.9863  0.1283
              Bcc     0.0226     3.032     1.082     1.011  0.9942  0.0990  0.0420
 
              Baa    -0.0145    -1.943    -0.693    -0.648  0.0182 -0.1023  0.9946
     5 C(13)  Bbb    -0.0138    -1.854    -0.662    -0.618 -0.4497  0.8876  0.0995
              Bcc     0.0283     3.798     1.355     1.267  0.8930  0.4491  0.0298
 
              Baa    -0.0014    -0.188    -0.067    -0.063 -0.3805  0.9245 -0.0210
     6 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051  0.3436  0.1624  0.9250
              Bcc     0.0025     0.341     0.122     0.114  0.8586  0.3448 -0.3795
 
              Baa    -0.0020    -0.274    -0.098    -0.091 -0.2417 -0.0360  0.9697
     7 C(13)  Bbb    -0.0009    -0.115    -0.041    -0.038  0.1543  0.9852  0.0750
              Bcc     0.0029     0.389     0.139     0.130  0.9580 -0.1678  0.2325
 
              Baa    -0.2292    16.583     5.917     5.532  0.8410 -0.5402  0.0309
     8 O(17)  Bbb    -0.2074    15.005     5.354     5.005 -0.1316 -0.1488  0.9801
              Bcc     0.4365   -31.588   -11.271   -10.537  0.5248  0.8283  0.1962
 
              Baa    -3.1861  -451.090  -160.960  -150.467  0.0008  0.0002  1.0000
     9 Cu(63) Bbb     1.5747   222.946    79.553    74.367  0.9939 -0.1100 -0.0007
              Bcc     1.6114   228.144    81.407    76.101  0.1100  0.9939 -0.0003
 
              Baa    -0.2084    15.079     5.381     5.030  0.9434  0.3300 -0.0317
    10 O(17)  Bbb    -0.1880    13.601     4.853     4.537  0.0984 -0.1873  0.9774
              Bcc     0.3964   -28.680   -10.234    -9.567 -0.3166  0.9252  0.2092
 
              Baa    -0.0156    -2.099    -0.749    -0.700  0.0000 -0.1375  0.9905
    11 C(13)  Bbb    -0.0030    -0.398    -0.142    -0.133  0.2569  0.9573  0.1328
              Bcc     0.0186     2.497     0.891     0.833  0.9664 -0.2544 -0.0353
 
              Baa    -0.0120    -1.606    -0.573    -0.536 -0.0120 -0.1091  0.9940
    12 C(13)  Bbb    -0.0106    -1.421    -0.507    -0.474  0.8890  0.4540  0.0605
              Bcc     0.0226     3.027     1.080     1.010 -0.4578  0.8843  0.0915
 
              Baa    -0.0062    -3.118    -1.112    -1.040 -0.1338  0.1955  0.9715
    13 F(19)  Bbb    -0.0054    -2.706    -0.966    -0.903  0.8759  0.4818  0.0237
              Bcc     0.0116     5.824     2.078     1.943 -0.4635  0.8542 -0.2357
 
              Baa    -0.0019    -0.254    -0.091    -0.085 -0.0917 -0.1975  0.9760
    14 C(13)  Bbb    -0.0013    -0.171    -0.061    -0.057  0.7326 -0.6773 -0.0683
              Bcc     0.0032     0.426     0.152     0.142  0.6745  0.7087  0.2068
 
              Baa    -0.0010    -0.133    -0.048    -0.045 -0.1277 -0.2207  0.9670
    15 C(13)  Bbb    -0.0009    -0.127    -0.045    -0.042 -0.2232  0.9563  0.1887
              Bcc     0.0019     0.261     0.093     0.087  0.9664  0.1917  0.1714
 
              Baa    -0.0011    -0.150    -0.053    -0.050 -0.4318  0.7239  0.5381
    16 C(13)  Bbb    -0.0010    -0.129    -0.046    -0.043  0.4029  0.6886 -0.6029
              Bcc     0.0021     0.279     0.099     0.093  0.8070  0.0435  0.5890
 
              Baa    -0.2293    16.590     5.920     5.534  0.8414 -0.5396 -0.0291
    17 O(17)  Bbb    -0.2075    15.013     5.357     5.008  0.1302  0.1501  0.9801
              Bcc     0.4367   -31.603   -11.277   -10.542  0.5245  0.8284 -0.1965
 
              Baa    -0.0197    -2.641    -0.942    -0.881  0.0278  0.1306  0.9910
    18 C(13)  Bbb    -0.0029    -0.392    -0.140    -0.131 -0.1039  0.9864 -0.1271
              Bcc     0.0226     3.033     1.082     1.012  0.9942  0.0995 -0.0410
 
              Baa    -0.0145    -1.944    -0.694    -0.648 -0.0192  0.1019  0.9946
    19 C(13)  Bbb    -0.0138    -1.855    -0.662    -0.619 -0.4502  0.8873 -0.0996
              Bcc     0.0283     3.799     1.355     1.267  0.8927  0.4497 -0.0288
 
              Baa    -0.0020    -0.274    -0.098    -0.091  0.2411  0.0371  0.9698
    20 C(13)  Bbb    -0.0009    -0.115    -0.041    -0.038  0.1530  0.9853 -0.0757
              Bcc     0.0029     0.389     0.139     0.130  0.9584 -0.1667 -0.2319
 
              Baa    -0.0014    -0.193    -0.069    -0.065 -0.0332 -0.0483  0.9983
    21 C(13)  Bbb    -0.0009    -0.123    -0.044    -0.041  0.1444  0.9881  0.0526
              Bcc     0.0024     0.316     0.113     0.106  0.9890 -0.1459  0.0259
 
              Baa    -0.0148    -1.981    -0.707    -0.661  0.0127 -0.0302  0.9995
    22 C(13)  Bbb    -0.0009    -0.118    -0.042    -0.039  0.9918  0.1278 -0.0087
              Bcc     0.0156     2.098     0.749     0.700 -0.1275  0.9913  0.0316
 
              Baa    -0.0012    -0.160    -0.057    -0.053 -0.3460  0.3105  0.8854
    23 C(13)  Bbb    -0.0009    -0.120    -0.043    -0.040  0.0492  0.9484 -0.3134
              Bcc     0.0021     0.280     0.100     0.093  0.9369  0.0649  0.3434
 
              Baa    -0.0014    -0.189    -0.067    -0.063 -0.3809  0.9244  0.0204
    24 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051 -0.3446 -0.1624  0.9246
              Bcc     0.0025     0.341     0.122     0.114  0.8580  0.3451  0.3804
 
              Baa    -0.0011    -0.149    -0.053    -0.050 -0.4322  0.7228 -0.5392
    25 C(13)  Bbb    -0.0010    -0.129    -0.046    -0.043  0.4020  0.6897  0.6022
              Bcc     0.0021     0.278     0.099     0.093  0.8072  0.0435 -0.5887
 
              Baa    -0.0010    -0.133    -0.048    -0.045  0.1266  0.2211  0.9670
    26 C(13)  Bbb    -0.0009    -0.127    -0.045    -0.042 -0.2237  0.9561 -0.1893
              Bcc     0.0019     0.261     0.093     0.087  0.9664  0.1923 -0.1705
 
              Baa    -0.0019    -0.254    -0.091    -0.085  0.0917  0.1977  0.9760
    27 C(13)  Bbb    -0.0013    -0.172    -0.061    -0.057  0.7327 -0.6771  0.0683
              Bcc     0.0032     0.426     0.152     0.142  0.6743  0.7088 -0.2070
 
              Baa    -0.0156    -2.098    -0.749    -0.700 -0.0003  0.1389  0.9903
    28 C(13)  Bbb    -0.0030    -0.398    -0.142    -0.133  0.2566  0.9571 -0.1342
              Bcc     0.0186     2.496     0.891     0.833  0.9665 -0.2541  0.0359
 
              Baa    -0.0120    -1.606    -0.573    -0.536  0.0123  0.1093  0.9939
    29 C(13)  Bbb    -0.0106    -1.421    -0.507    -0.474  0.8888  0.4542 -0.0610
              Bcc     0.0226     3.027     1.080     1.010 -0.4581  0.8842 -0.0916
 
              Baa    -0.0062    -3.111    -1.110    -1.038  0.1343 -0.1950  0.9716
    30 F(19)  Bbb    -0.0054    -2.700    -0.963    -0.901  0.8757  0.4822 -0.0242
              Bcc     0.0116     5.810     2.073     1.938 -0.4638  0.8541  0.2355
 
              Baa    -0.2083    15.074     5.379     5.028  0.9432  0.3307  0.0329
    31 O(17)  Bbb    -0.1879    13.595     4.851     4.535 -0.0997  0.1872  0.9773
              Bcc     0.3962   -28.670   -10.230    -9.563 -0.3170  0.9250 -0.2095
 
              Baa    -0.0078    -3.931    -1.403    -1.311 -0.0459  0.4403  0.8967
    32 F(19)  Bbb    -0.0071    -3.591    -1.281    -1.198  0.8126  0.5386 -0.2228
              Bcc     0.0150     7.522     2.684     2.509 -0.5810  0.7184 -0.3825
 
              Baa    -0.0025    -1.233    -0.440    -0.411 -0.1256  0.0995  0.9871
    33 F(19)  Bbb    -0.0008    -0.427    -0.152    -0.142  0.8653  0.4977  0.0600
              Bcc     0.0033     1.660     0.592     0.554 -0.4853  0.8616 -0.1486
 
              Baa    -0.0025    -1.233    -0.440    -0.411  0.1242 -0.1007  0.9871
    34 F(19)  Bbb    -0.0009    -0.427    -0.152    -0.142  0.8655  0.4975 -0.0581
              Bcc     0.0033     1.660     0.592     0.554 -0.4852  0.8616  0.1489
 
              Baa    -0.0078    -3.926    -1.401    -1.310  0.0463 -0.4398  0.8969
    35 F(19)  Bbb    -0.0071    -3.586    -1.280    -1.196  0.8128  0.5385  0.2221
              Bcc     0.0150     7.512     2.681     2.506 -0.5807  0.7187  0.3824
 
              Baa    -0.0008    -0.451    -0.161    -0.150 -0.5050  0.8459  0.1715
    36 H(1)   Bbb    -0.0007    -0.392    -0.140    -0.131 -0.1935 -0.3045  0.9326
              Bcc     0.0016     0.843     0.301     0.281  0.8412  0.4378  0.3174
 
              Baa    -0.0016    -0.843    -0.301    -0.281 -0.5177  0.8522  0.0760
    37 H(1)   Bbb    -0.0014    -0.730    -0.261    -0.244 -0.4226 -0.3320  0.8433
              Bcc     0.0029     1.574     0.562     0.525  0.7439  0.4045  0.5320
 
              Baa    -0.0007    -0.352    -0.125    -0.117 -0.2786  0.3477  0.8953
    38 H(1)   Bbb    -0.0005    -0.291    -0.104    -0.097  0.0519  0.9362 -0.3475
              Bcc     0.0012     0.643     0.229     0.215  0.9590  0.0503  0.2789
 
              Baa    -0.0011    -0.594    -0.212    -0.198 -0.4771  0.2063  0.8543
    39 H(1)   Bbb    -0.0009    -0.494    -0.176    -0.165  0.1164  0.9783 -0.1712
              Bcc     0.0020     1.088     0.388     0.363  0.8711 -0.0177  0.4908
 
              Baa    -0.0012    -0.618    -0.221    -0.206  0.0990  0.2180  0.9709
    40 H(1)   Bbb    -0.0008    -0.420    -0.150    -0.140  0.1630  0.9590 -0.2319
              Bcc     0.0019     1.038     0.370     0.346  0.9816 -0.1812 -0.0594
 
              Baa    -0.0018    -0.961    -0.343    -0.321  0.5994 -0.4232  0.6794
    41 H(1)   Bbb    -0.0015    -0.814    -0.290    -0.272  0.2839  0.9060  0.3139
              Bcc     0.0033     1.775     0.633     0.592  0.7484 -0.0048 -0.6632
 
              Baa    -0.0009    -0.462    -0.165    -0.154 -0.4735  0.8385 -0.2695
    42 H(1)   Bbb    -0.0008    -0.413    -0.147    -0.138  0.4781  0.5017  0.7209
              Bcc     0.0016     0.876     0.312     0.292  0.7397  0.2125 -0.6385
 
              Baa    -0.0008    -0.401    -0.143    -0.134  0.5039 -0.3511  0.7892
    43 H(1)   Bbb    -0.0007    -0.354    -0.126    -0.118  0.2391  0.9347  0.2632
              Bcc     0.0014     0.756     0.270     0.252  0.8300 -0.0561 -0.5549
 
              Baa    -0.0006    -0.304    -0.108    -0.101  0.1351 -0.6062  0.7837
    44 H(1)   Bbb    -0.0005    -0.274    -0.098    -0.091 -0.1864  0.7613  0.6210
              Bcc     0.0011     0.577     0.206     0.193  0.9731  0.2300  0.0102
 
              Baa    -0.0005    -0.269    -0.096    -0.090  0.2507 -0.2087  0.9453
    45 H(1)   Bbb    -0.0004    -0.201    -0.072    -0.067 -0.0038  0.9763  0.2166
              Bcc     0.0009     0.470     0.168     0.157  0.9681  0.0579 -0.2440
 
              Baa    -0.0006    -0.300    -0.107    -0.100  0.2276  0.3160  0.9211
    46 H(1)   Bbb    -0.0005    -0.263    -0.094    -0.088 -0.4185  0.8858 -0.2004
              Bcc     0.0011     0.563     0.201     0.188  0.8792  0.3399 -0.3339
 
              Baa    -0.0021    -1.125    -0.401    -0.375  0.0423  0.0121  0.9990
    47 H(1)   Bbb    -0.0015    -0.823    -0.294    -0.275  0.8471 -0.5307 -0.0294
              Bcc     0.0037     1.948     0.695     0.650  0.5298  0.8475 -0.0327
 
              Baa    -0.0010    -0.528    -0.188    -0.176  0.0188  0.2331  0.9723
    48 H(1)   Bbb    -0.0007    -0.380    -0.135    -0.127  0.7292 -0.6685  0.1462
              Bcc     0.0017     0.908     0.324     0.303  0.6840  0.7063 -0.1826
 
              Baa    -0.0017    -0.927    -0.331    -0.309 -0.0742  0.6367  0.7676
    49 H(1)   Bbb    -0.0013    -0.704    -0.251    -0.235  0.8106 -0.4098  0.4183
              Bcc     0.0031     1.631     0.582     0.544  0.5809  0.6532 -0.4857
 
              Baa    -0.0009    -0.463    -0.165    -0.154 -0.4728  0.8396  0.2676
    50 H(1)   Bbb    -0.0008    -0.414    -0.148    -0.138 -0.4795 -0.4999  0.7212
              Bcc     0.0016     0.877     0.313     0.293  0.7393  0.2127  0.6389
 
              Baa    -0.0018    -0.962    -0.343    -0.321 -0.5991  0.4241  0.6791
    51 H(1)   Bbb    -0.0015    -0.815    -0.291    -0.272  0.2847  0.9056 -0.3144
              Bcc     0.0033     1.777     0.634     0.593  0.7483 -0.0050  0.6633
 
              Baa    -0.0008    -0.401    -0.143    -0.134 -0.5039  0.3531  0.7883
    52 H(1)   Bbb    -0.0007    -0.354    -0.126    -0.118  0.2403  0.9339 -0.2648
              Bcc     0.0014     0.756     0.270     0.252  0.8296 -0.0560  0.5555
 
              Baa    -0.0006    -0.300    -0.107    -0.100 -0.2284 -0.3157  0.9210
    53 H(1)   Bbb    -0.0005    -0.263    -0.094    -0.088 -0.4183  0.8860  0.2000
              Bcc     0.0011     0.563     0.201     0.188  0.8791  0.3396  0.3344
 
              Baa    -0.0005    -0.269    -0.096    -0.090 -0.2514  0.2097  0.9449
    54 H(1)   Bbb    -0.0004    -0.201    -0.072    -0.067 -0.0030  0.9761 -0.2174
              Bcc     0.0009     0.470     0.168     0.157  0.9679  0.0575  0.2448
 
              Baa    -0.0006    -0.303    -0.108    -0.101 -0.1352  0.6061  0.7838
    55 H(1)   Bbb    -0.0005    -0.274    -0.098    -0.091 -0.1856  0.7616 -0.6209
              Bcc     0.0011     0.577     0.206     0.192  0.9733  0.2294 -0.0095
 
              Baa    -0.0007    -0.352    -0.125    -0.117  0.2777 -0.3475  0.8956
    56 H(1)   Bbb    -0.0005    -0.291    -0.104    -0.097  0.0521  0.9364  0.3472
              Bcc     0.0012     0.643     0.229     0.214  0.9592  0.0498 -0.2782
 
              Baa    -0.0011    -0.594    -0.212    -0.198  0.4766 -0.2060  0.8546
    57 H(1)   Bbb    -0.0009    -0.493    -0.176    -0.165  0.1166  0.9784  0.1708
              Bcc     0.0020     1.087     0.388     0.363  0.8713 -0.0183 -0.4903
 
              Baa    -0.0016    -0.842    -0.301    -0.281 -0.5183  0.8516 -0.0788
    58 H(1)   Bbb    -0.0014    -0.730    -0.260    -0.243  0.4211  0.3343  0.8431
              Bcc     0.0029     1.572     0.561     0.524  0.7443  0.4038 -0.5319
 
              Baa    -0.0008    -0.451    -0.161    -0.150 -0.5043  0.8462 -0.1719
    59 H(1)   Bbb    -0.0007    -0.392    -0.140    -0.131  0.1933  0.3046  0.9327
              Bcc     0.0016     0.843     0.301     0.281  0.8416  0.4371 -0.3172
 
              Baa    -0.0012    -0.618    -0.221    -0.206 -0.0997 -0.2176  0.9709
    60 H(1)   Bbb    -0.0008    -0.420    -0.150    -0.140  0.1633  0.9590  0.2317
              Bcc     0.0019     1.038     0.370     0.346  0.9815 -0.1816  0.0600
 
              Baa    -0.0010    -0.528    -0.188    -0.176 -0.0192 -0.2328  0.9723
    61 H(1)   Bbb    -0.0007    -0.380    -0.135    -0.127  0.7289 -0.6689 -0.1458
              Bcc     0.0017     0.908     0.324     0.303  0.6843  0.7060  0.1825
 
              Baa    -0.0021    -1.124    -0.401    -0.375 -0.0422 -0.0115  0.9990
    62 H(1)   Bbb    -0.0015    -0.823    -0.294    -0.274  0.8468 -0.5311  0.0296
              Bcc     0.0036     1.946     0.694     0.649  0.5303  0.8472  0.0322
 
              Baa    -0.0017    -0.927    -0.331    -0.309  0.0740 -0.6362  0.7679
    63 H(1)   Bbb    -0.0013    -0.704    -0.251    -0.235  0.8106 -0.4102 -0.4179
              Bcc     0.0031     1.631     0.582     0.544  0.5810  0.6534  0.4854
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Aug 29 07:43:09 2021, MaxMem= 16106127360 cpu:              46.6 elap:               7.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0007    0.0000        0.0221    0.0224       20.4488   20.4464
 2     -0.0269   -0.0224        0.0005    0.0012     -191.9035 -191.9065
 3    -20.4439  -20.4464      239.1471  239.1515       -0.0009   -0.0012
 4     -0.0014   -0.0012        0.0001    0.0000      -20.4436  -20.4464
 5    -47.2452  -47.2450       20.4453   20.4464        0.0221    0.0224
 6      0.0019    0.0012       -0.0219   -0.0224        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0673   -0.0673       61.3392   61.3392
 2     -0.0035   -0.0035       -0.0000    0.0000       61.3392   61.3392
 3     -0.0035   -0.0035       -0.0673   -0.0673        0.0000    0.0000
 4     -0.0673   -0.0673        0.0035    0.0035     -575.7195 -575.7195
 5    -61.3393  -61.3392      717.4544  717.4544       -0.0035   -0.0035
 6   -141.7350 -141.7350       61.3392   61.3392        0.0673    0.0673
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0079    0.0000       -0.0785   -0.0897      -84.4269  -81.7856
 2      0.0911    0.0897       -0.0107   -0.0046      767.0087  767.6259
 3     81.6212   81.7856     -956.3685 -956.6059        0.0070    0.0046
 4      0.0052    0.0046        0.0000    0.0000       81.6004   81.7856
 5    188.8818  188.9800      -81.5822  -81.7856       -0.0908   -0.0897
 6     -0.0040   -0.0046        0.0902    0.0897       -0.0418    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0310    0.0000        0.7725    0.7502        4.8569    5.7668
 2     -0.7271   -0.7502        0.0403    0.0259      141.9185  136.0131
 3      8.1464   -5.7668     -243.3157 -238.6007       -0.1755   -0.0259
 4     -0.0303   -0.0259       -0.0042    0.0000       -5.3340   -5.7668
 5    104.5328  102.5875        4.3955    5.7668        0.7369    0.7502
 6     -0.0062    0.0259       -0.7361   -0.7502       -1.3426    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1775   -0.1684        0.0737    0.0687      132.2383  133.4000
 2     -0.1079   -0.1021       -0.0855   -0.0750      133.1887  133.4000
 3     -0.1009   -0.1021        0.0612    0.0687      112.5295  112.0377
 4      0.1484    0.1437       -0.0624   -0.0663      142.5929  140.6603
 5    -23.3440  -21.3623       70.8056   70.3756        0.0886    0.0663
 6   -209.7427 -211.0360       21.6843   21.3623       -0.1630   -0.1437
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--     57.4135                 8.9695                 1.5776
  Dep-P Fr= 1--      0.3304                 0.3525                 0.7499
  Dep-U Fr= 1--      0.4967                 0.5213                 0.8571
 Alpha2 Fr= 1--      0.5366                 0.0781                 0.0000
 Beta2  Fr= 1--      4.7524                 0.7793                 0.2254
 AlphaG Fr= 1--      4.1985                 0.8684                 0.0000
 Gamma2 Fr= 1--     38.4784                 7.6006                -2.6370
 Delta2 Fr= 1--      3.3265                -0.2661                 0.4839
 Raman1 Fr= 1--     229.654                 35.878                  6.310
 ROA1   Fr= 1--    3800.370                721.145               -237.671
 CID1   Fr= 1--      16.548                 20.100                -37.664
 Raman2 Fr= 1--      57.029                  9.351                  2.704
 ROA2   Fr= 1--     896.868                184.543                -67.160
 CID2   Fr= 1--      15.727                 19.735                -24.835
 Raman3 Fr= 1--     114.058                 18.702                  5.408
 ROA3   Fr= 1--    3800.370                721.145               -237.671
 CID3   Fr= 1--      33.320                 38.559                -43.944
 RC180  Fr= 1--      -0.007                  0.043                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      0.4188                 1.4719                 0.1396
  Dep-P Fr= 1--      0.4048                 0.7499                 0.7497
  Dep-U Fr= 1--      0.5763                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0402                 0.2103                 0.0199
 AlphaG Fr= 1--     -0.0106                 0.0001                 0.0000
 Gamma2 Fr= 1--     -0.5378               -24.2792                 3.3635
 Delta2 Fr= 1--      0.1297                 3.3125                -0.5061
 Raman1 Fr= 1--       1.675                  5.888                  0.558
 ROA1   Fr= 1--     -47.473              -2224.798                306.701
 CID1   Fr= 1--     -28.339               -377.871                549.217
 Raman2 Fr= 1--       0.483                  2.523                  0.239
 ROA2   Fr= 1--     -13.944               -609.200                 84.773
 CID2   Fr= 1--     -28.887               -241.442                354.287
 Raman3 Fr= 1--       0.965                  5.046                  0.479
 ROA3   Fr= 1--     -47.473              -2224.798                306.701
 CID3   Fr= 1--     -49.174               -440.873                640.887
 RC180  Fr= 1--       0.153                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      6.9839                 2.5011              2890.3352
  Dep-P Fr= 1--      0.3334                 0.7500                 0.3302
  Dep-U Fr= 1--      0.5001                 0.8571                 0.4965
 Alpha2 Fr= 1--      0.0646                 0.0000                27.0246
 Beta2  Fr= 1--      0.5821                 0.3573               239.1754
 AlphaG Fr= 1--      0.8314                -0.0000                83.6510
 Gamma2 Fr= 1--      5.3465                17.2045              1310.2115
 Delta2 Fr= 1--     -0.5520                -3.7315               -55.2017
 Raman1 Fr= 1--      27.936                 10.004              11561.341
 ROA1   Fr= 1--     495.602               1532.225             124013.849
 CID1   Fr= 1--      17.741                153.155                 10.727
 Raman2 Fr= 1--       6.986                  4.288               2870.105
 ROA2   Fr= 1--     132.733                442.760              31886.689
 CID2   Fr= 1--      19.001                103.265                 11.110
 Raman3 Fr= 1--      13.971                  8.575               5740.210
 ROA3   Fr= 1--     495.602               1532.225             124013.849
 CID3   Fr= 1--      35.473                178.680                 21.604
 RC180  Fr= 1--       0.000                  0.714                 -0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--     85.3072                 2.0178               860.7356
  Dep-P Fr= 1--      0.3222                 0.7267                 0.3459
  Dep-U Fr= 1--      0.4873                 0.8417                 0.5141
 Alpha2 Fr= 1--      0.8179                 0.0008                 7.6562
 Beta2  Fr= 1--      6.9286                 0.2831                73.7439
 AlphaG Fr= 1--    -13.4020                 0.0020                13.1502
 Gamma2 Fr= 1--    -74.4894                -2.7114               219.9089
 Delta2 Fr= 1--     -5.0432                -0.8143               -18.7029
 Raman1 Fr= 1--     341.229                  8.071               3442.942
 ROA1   Fr= 1--   -7312.360               -286.357              20512.766
 CID1   Fr= 1--     -21.430                -35.479                  5.958
 Raman2 Fr= 1--      83.143                  3.397                884.926
 ROA2   Fr= 1--   -1747.399                -58.560               5427.438
 CID2   Fr= 1--     -21.017                -17.240                  6.133
 Raman3 Fr= 1--     166.286                  6.794               1769.853
 ROA3   Fr= 1--   -7312.360               -286.357              20512.766
 CID3   Fr= 1--     -43.975                -42.152                 11.590
 RC180  Fr= 1--      -0.025                  0.683                  0.028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.9375                23.6798              3739.6266
  Dep-P Fr= 1--      0.5320                 0.2395                 0.3252
  Dep-U Fr= 1--      0.6946                 0.3864                 0.4908
 Alpha2 Fr= 1--      0.0040                 0.2890                35.5141
 Beta2  Fr= 1--      0.1085                 1.5251               305.9272
 AlphaG Fr= 1--      0.0058               -15.0414               131.6547
 Gamma2 Fr= 1--     -1.8810               -73.5183              1918.2156
 Delta2 Fr= 1--      0.6736                -2.0954               -82.0747
 Raman1 Fr= 1--       3.750                 94.719              14958.507
 ROA1   Fr= 1--    -159.024              -7124.808             181522.309
 CID1   Fr= 1--     -42.404                -75.220                 12.135
 Raman2 Fr= 1--       1.302                 18.302               3671.127
 ROA2   Fr= 1--     -50.533              -1747.676              46693.772
 CID2   Fr= 1--     -38.802                -95.493                 12.719
 Raman3 Fr= 1--       2.605                 36.603               7342.253
 ROA3   Fr= 1--    -159.024              -7124.808             181522.309
 CID3   Fr= 1--     -61.053               -194.649                 24.723
 RC180  Fr= 1--       0.389                 -0.227                 -0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.4709               810.4347                 1.6922
  Dep-P Fr= 1--      0.7486                 0.3194                 0.7473
  Dep-U Fr= 1--      0.8562                 0.4841                 0.8554
 Alpha2 Fr= 1--      0.0000                 7.8375                 0.0001
 Beta2  Fr= 1--      0.0672                65.3923                 0.2412
 AlphaG Fr= 1--      0.0001                25.9472                 0.0003
 Gamma2 Fr= 1--     -6.3721               415.7772               -28.4748
 Delta2 Fr= 1--      0.6031               -19.9705                 2.4510
 Raman1 Fr= 1--       1.884               3241.739                  6.769
 ROA1   Fr= 1--    -592.421              39275.556              -2655.148
 CID1   Fr= 1--    -314.532                 12.116               -392.264
 Raman2 Fr= 1--       0.806                784.707                  2.895
 ROA2   Fr= 1--    -157.755              10138.417               -703.004
 CID2   Fr= 1--    -195.636                 12.920               -242.837
 Raman3 Fr= 1--       1.613               1569.415                  5.790
 ROA3   Fr= 1--    -592.421              39275.556              -2655.148
 CID3   Fr= 1--    -367.338                 25.026               -458.581
 RC180  Fr= 1--       0.712                 -0.032                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      5.4103                61.6155                 4.5156
  Dep-P Fr= 1--      0.3540                 0.3213                 0.7495
  Dep-U Fr= 1--      0.5229                 0.4863                 0.8568
 Alpha2 Fr= 1--      0.0469                 0.5924                 0.0000
 Beta2  Fr= 1--      0.4715                 4.9939                 0.6449
 AlphaG Fr= 1--      0.1197                 1.4541                -0.0003
 Gamma2 Fr= 1--     -5.9000                19.6641              -139.7429
 Delta2 Fr= 1--      0.8994                -1.7672                20.5702
 Raman1 Fr= 1--      21.641                246.462                 18.062
 ROA1   Fr= 1--    -537.618               1831.206             -12757.075
 CID1   Fr= 1--     -24.842                  7.430               -706.274
 Raman2 Fr= 1--       5.658                 59.927                  7.738
 ROA2   Fr= 1--    -148.795                486.076              -3518.393
 CID2   Fr= 1--     -26.297                  8.111               -454.670
 Raman3 Fr= 1--      11.317                119.855                 15.477
 ROA3   Fr= 1--    -537.618               1831.206             -12757.075
 CID3   Fr= 1--     -47.507                 15.279               -824.276
 RC180  Fr= 1--       0.046                 -0.027                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--    498.7791              2281.7286                10.4550
  Dep-P Fr= 1--      0.2961                 0.3187                 0.7500
  Dep-U Fr= 1--      0.4569                 0.4834                 0.8571
 Alpha2 Fr= 1--      5.1758                22.1088                 0.0000
 Beta2  Fr= 1--     37.9812               183.8333                 1.4935
 AlphaG Fr= 1--      8.2641               116.5536                -0.0002
 Gamma2 Fr= 1--    224.3272              1248.4997              -269.1168
 Delta2 Fr= 1--    -15.4103               -20.8216                40.5270
 Raman1 Fr= 1--    1995.116               9126.915                 41.820
 ROA1   Fr= 1--   21042.284             119189.678             -24538.349
 CID1   Fr= 1--      10.547                 13.059               -586.763
 Raman2 Fr= 1--     455.775               2206.000                 17.922
 ROA2   Fr= 1--    5507.135              30130.564              -6783.019
 CID2   Fr= 1--      12.083                 13.658               -378.464
 Raman3 Fr= 1--     911.549               4411.999                 35.845
 ROA3   Fr= 1--   21042.284             119189.678             -24538.349
 CID3   Fr= 1--      23.084                 27.015               -684.569
 RC180  Fr= 1--      -0.086                 -0.033                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.7086               142.4960                 0.6970
  Dep-P Fr= 1--      0.4531                 0.2955                 0.7489
  Dep-U Fr= 1--      0.6237                 0.4563                 0.8564
 Alpha2 Fr= 1--      0.0043                 1.4810                 0.0000
 Beta2  Fr= 1--      0.0737                10.8357                 0.0995
 AlphaG Fr= 1--      0.0196                 5.9224                 0.0002
 Gamma2 Fr= 1--     -1.5329                61.7853               -29.1314
 Delta2 Fr= 1--     -0.1256                -6.3243                 2.5683
 Raman1 Fr= 1--       2.834                569.984                  2.788
 ROA1   Fr= 1--    -151.176               5729.006              -2714.434
 CID1   Fr= 1--     -53.335                 10.051               -973.559
 Raman2 Fr= 1--       0.884                130.029                  1.194
 ROA2   Fr= 1--     -35.784               1533.441               -719.701
 CID2   Fr= 1--     -40.486                 11.793               -602.797
 Raman3 Fr= 1--       1.768                260.058                  2.388
 ROA3   Fr= 1--    -151.176               5729.006              -2714.434
 CID3   Fr= 1--     -85.519                 22.030              -1136.759
 RC180  Fr= 1--       0.247                 -0.087                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--    853.4318                 7.3707                 8.6349
  Dep-P Fr= 1--      0.3543                 0.7491                 0.1475
  Dep-U Fr= 1--      0.5233                 0.8565                 0.2571
 Alpha2 Fr= 1--      7.3876                 0.0001                 0.1343
 Beta2  Fr= 1--     74.4268                 1.0522                 0.3701
 AlphaG Fr= 1--     62.5545                 0.0001                -1.3322
 Gamma2 Fr= 1--    580.0848              -151.7408               -21.3883
 Delta2 Fr= 1--      3.2146                25.0855                -2.5281
 Raman1 Fr= 1--    3413.727                 29.483                 34.540
 ROA1   Fr= 1--   55791.011             -13764.383              -2134.179
 CID1   Fr= 1--      16.343               -466.863                -61.789
 Raman2 Fr= 1--     893.122                 12.627                  4.441
 ROA2   Fr= 1--   13896.319              -3842.463               -493.096
 CID2   Fr= 1--      15.559               -304.316               -111.039
 Raman3 Fr= 1--    1786.244                 25.253                  8.881
 ROA3   Fr= 1--   55791.011             -13764.383              -2134.179
 CID3   Fr= 1--      31.234               -545.057               -240.295
 RC180  Fr= 1--       0.047                  0.713                 -0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--      1.5064                 1.7285               105.4917
  Dep-P Fr= 1--      0.7495                 0.7473                 0.3463
  Dep-U Fr= 1--      0.8568                 0.8554                 0.5145
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.9371
 Beta2  Fr= 1--      0.2151                 0.2464                 9.0459
 AlphaG Fr= 1--     -0.0001                -0.0000                13.1597
 Gamma2 Fr= 1--    -48.4763               -57.1578               127.4985
 Delta2 Fr= 1--      4.2029                 8.6378                 1.7164
 Raman1 Fr= 1--       6.026                  6.914                421.967
 ROA1   Fr= 1--   -4519.231              -5210.742              12294.780
 CID1   Fr= 1--    -750.010               -753.651                 29.137
 Raman2 Fr= 1--       2.581                  2.957                108.550
 ROA2   Fr= 1--   -1197.054              -1440.890               3046.233
 CID2   Fr= 1--    -463.728               -487.277                 28.063
 Raman3 Fr= 1--       5.163                  5.914                217.101
 ROA3   Fr= 1--   -4519.231              -5210.742              12294.780
 CID3   Fr= 1--    -875.355               -881.079                 56.632
 RC180  Fr= 1--       0.714                  0.711                  0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--     40.0334                 0.5658                 2.7679
  Dep-P Fr= 1--      0.5780                 0.7476                 0.7379
  Dep-U Fr= 1--      0.7325                 0.8556                 0.8492
 Alpha2 Fr= 1--      0.1293                 0.0000                 0.0006
 Beta2  Fr= 1--      4.8877                 0.0807                 0.3917
 AlphaG Fr= 1--     -2.5132                -0.0000                 0.0095
 Gamma2 Fr= 1--    -50.0565               -13.5094               -70.8153
 Delta2 Fr= 1--     -3.8638                -1.7869                 7.4065
 Raman1 Fr= 1--     160.134                  2.263                 11.072
 ROA1   Fr= 1--   -4929.068              -1354.088              -6561.255
 CID1   Fr= 1--     -30.781               -598.343               -592.621
 Raman2 Fr= 1--      58.652                  0.968                  4.701
 ROA2   Fr= 1--   -1170.446               -309.931              -1758.818
 CID2   Fr= 1--     -19.956               -320.143               -374.152
 Raman3 Fr= 1--     117.304                  1.936                  9.402
 ROA3   Fr= 1--   -4929.068              -1354.088              -6561.255
 CID3   Fr= 1--     -42.020               -699.351               -697.886
 RC180  Fr= 1--       0.465                  0.711                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--     24.3507               633.9713                 3.1049
  Dep-P Fr= 1--      0.3894                 0.3361                 0.4183
  Dep-U Fr= 1--      0.5606                 0.5031                 0.5898
 Alpha2 Fr= 1--      0.1872                 5.8193                 0.0215
 Beta2  Fr= 1--      2.2751                53.1577                 0.3052
 AlphaG Fr= 1--      4.7613                10.8510                 0.0416
 Gamma2 Fr= 1--     74.4908               219.2300               -13.4668
 Delta2 Fr= 1--      0.3135                -6.3954                 4.1643
 Raman1 Fr= 1--      97.403               2535.885                 12.420
 ROA1   Fr= 1--    7161.144              20841.424              -1159.552
 CID1   Fr= 1--      73.521                  8.219                -93.364
 Raman2 Fr= 1--      27.301                637.892                  3.663
 ROA2   Fr= 1--    1785.271               5312.683               -356.516
 CID2   Fr= 1--      65.392                  8.328                -97.337
 Raman3 Fr= 1--      54.602               1275.784                  7.325
 ROA3   Fr= 1--    7161.144              20841.424              -1159.552
 CID3   Fr= 1--     131.152                 16.336               -158.293
 RC180  Fr= 1--       0.121                  0.006                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--   3310.0074                19.2844                 5.9049
  Dep-P Fr= 1--      0.3103                 0.7491                 0.5772
  Dep-U Fr= 1--      0.4736                 0.8565                 0.7319
 Alpha2 Fr= 1--     32.9143                 0.0003                 0.0192
 Beta2  Fr= 1--    261.2664                 2.7529                 0.7203
 AlphaG Fr= 1--     76.9135                -0.0013                -0.7459
 Gamma2 Fr= 1--   1113.6361              -409.2428                 1.7261
 Delta2 Fr= 1--    -49.8099                66.5152                -1.1490
 Raman1 Fr= 1--   13240.030                 77.137                 23.620
 ROA1   Fr= 1--  105315.150             -37158.826                128.933
 CID1   Fr= 1--       7.954               -481.722                  5.459
 Raman2 Fr= 1--    3135.197                 33.035                  8.644
 ROA2   Fr= 1--   27125.746             -10353.949                 50.617
 CID2   Fr= 1--       8.652               -313.424                  5.856
 Raman3 Fr= 1--    6270.393                 66.070                 17.288
 ROA3   Fr= 1--  105315.150             -37158.826                128.933
 CID3   Fr= 1--      16.796               -562.416                  7.458
 RC180  Fr= 1--      -0.053                  0.713                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      2.7344              2339.9112              2126.3948
  Dep-P Fr= 1--      0.7495                 0.3323                 0.3179
  Dep-U Fr= 1--      0.8568                 0.4989                 0.4825
 Alpha2 Fr= 1--      0.0000                21.7344                20.6560
 Beta2  Fr= 1--      0.3905               194.5520               170.9819
 AlphaG Fr= 1--     -0.0004                16.1824                63.2813
 Gamma2 Fr= 1--    -65.9204               623.8932               877.4044
 Delta2 Fr= 1--     12.6160               -70.9758                 6.2057
 Raman1 Fr= 1--      10.938               9359.645               8505.579
 ROA1   Fr= 1--   -5924.652              57622.518              84429.401
 CID1   Fr= 1--    -541.675                  6.156                  9.926
 Raman2 Fr= 1--       4.686               2334.624               2051.783
 ROA2   Fr= 1--   -1683.018              15541.242              21008.060
 CID2   Fr= 1--    -359.185                  6.657                 10.239
 Raman3 Fr= 1--       9.371               4669.247               4103.565
 ROA3   Fr= 1--   -5924.652              57622.518              84429.401
 CID3   Fr= 1--    -632.212                 12.341                 20.575
 RC180  Fr= 1--       0.714                 -0.002                 -0.035
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--      9.0621                55.4901              2201.3027
  Dep-P Fr= 1--      0.7009                 0.7488                 0.3038
  Dep-U Fr= 1--      0.8241                 0.8564                 0.4661
 Alpha2 Fr= 1--      0.0078                 0.0011                22.3185
 Beta2  Fr= 1--      1.2447                 7.9202               170.9956
 AlphaG Fr= 1--      0.0183                -0.0049                27.6689
 Gamma2 Fr= 1--   -155.4128             -1465.8748               661.0757
 Delta2 Fr= 1--     19.7826               249.3829               -83.5902
 Raman1 Fr= 1--      36.248                221.960               8805.211
 ROA1   Fr= 1--  -14286.585            -132743.732              60788.382
 CID1   Fr= 1--    -394.130               -598.052                  6.904
 Raman2 Fr= 1--      14.937                 95.042               2051.947
 ROA2   Fr= 1--   -3888.169             -37176.059              16534.539
 CID2   Fr= 1--    -260.312               -391.152                  8.058
 Raman3 Fr= 1--      29.873                190.085               4103.895
 ROA3   Fr= 1--  -14286.585            -132743.732              60788.382
 CID3   Fr= 1--    -478.241               -698.339                 14.812
 RC180  Fr= 1--       0.648                  0.713                 -0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--     43.2121              4684.7167                44.0265
  Dep-P Fr= 1--      0.7493                 0.3294                 0.6843
  Dep-U Fr= 1--      0.8567                 0.4956                 0.8125
 Alpha2 Fr= 1--      0.0005                43.9130                 0.0509
 Beta2  Fr= 1--      6.1700               386.9475                 5.9622
 AlphaG Fr= 1--      0.0057               116.2213                 0.0606
 Gamma2 Fr= 1--   -899.5712              2191.5140             -1017.0046
 Delta2 Fr= 1--    164.0325               -59.6564               141.6112
 Raman1 Fr= 1--     172.848              18738.867                176.106
 ROA1   Fr= 1--  -81109.797             208476.340             -93100.885
 CID1   Fr= 1--    -469.254                 11.125               -528.664
 Raman2 Fr= 1--      74.040               4643.370                 71.547
 ROA2   Fr= 1--  -22901.969              53073.587             -25541.000
 CID2   Fr= 1--    -309.318                 11.430               -356.984
 Raman3 Fr= 1--     148.080               9286.740                143.093
 ROA3   Fr= 1--  -81109.797             208476.340             -93100.885
 CID3   Fr= 1--    -547.741                 22.449               -650.631
 RC180  Fr= 1--       0.713                 -0.009                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--   8918.7823                34.8600              8381.6927
  Dep-P Fr= 1--      0.3145                 0.7499                 0.3251
  Dep-U Fr= 1--      0.4785                 0.8571                 0.4907
 Alpha2 Fr= 1--     87.5503                 0.0000                79.6363
 Beta2  Fr= 1--    711.2886                 4.9798               685.4368
 AlphaG Fr= 1--    176.5588                -0.0012               184.7742
 Gamma2 Fr= 1--   3097.2244              -854.9063              3059.4433
 Delta2 Fr= 1--   -115.9627               137.1673              -177.3403
 Raman1 Fr= 1--   35675.129                139.440              33526.771
 ROA1   Fr= 1--  293622.737             -77681.653             288031.673
 CID1   Fr= 1--       8.230               -557.097                  8.591
 Raman2 Fr= 1--    8535.463                 59.757               8225.242
 ROA2   Fr= 1--   75261.087             -21615.091              74845.362
 CID2   Fr= 1--       8.817               -361.715                  9.099
 Raman3 Fr= 1--   17070.927                119.514              16450.484
 ROA3   Fr= 1--  293622.737             -77681.653             288031.673
 CID3   Fr= 1--      17.200               -649.978                 17.509
 RC180  Fr= 1--      -0.043                  0.714                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--      0.5061               306.3722                26.0256
  Dep-P Fr= 1--      0.3709                 0.3439                 0.7498
  Dep-U Fr= 1--      0.5412                 0.5118                 0.8570
 Alpha2 Fr= 1--      0.0041                 2.7427                 0.0001
 Beta2  Fr= 1--      0.0456                26.1356                 3.7174
 AlphaG Fr= 1--      0.0102                16.0528                -0.0011
 Gamma2 Fr= 1--     -0.6902               174.9947              -478.0721
 Delta2 Fr= 1--     -0.6025                -1.1751                94.4089
 Raman1 Fr= 1--       2.024               1225.489                104.103
 ROA1   Fr= 1--     -85.539              16761.883             -42873.836
 CID1   Fr= 1--     -42.257                 13.678               -411.842
 Raman2 Fr= 1--       0.548                313.627                 44.608
 ROA2   Fr= 1--     -11.744               4209.273             -12229.001
 CID2   Fr= 1--     -21.442                 13.421               -274.142
 Raman3 Fr= 1--       1.095                627.254                 89.217
 ROA3   Fr= 1--     -85.539              16761.883             -42873.836
 CID3   Fr= 1--     -78.087                 26.723               -480.559
 RC180  Fr= 1--       0.082                  0.024                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--  10669.1430                22.8478                20.6370
  Dep-P Fr= 1--      0.3342                 0.7470                 0.3274
  Dep-U Fr= 1--      0.5010                 0.8552                 0.4932
 Alpha2 Fr= 1--     98.5177                 0.0012                 0.1947
 Beta2  Fr= 1--    890.8352                 3.2564                 1.6965
 AlphaG Fr= 1--    170.0326                -0.0009                 0.9406
 Gamma2 Fr= 1--   4283.6585              -448.5809               -17.8143
 Delta2 Fr= 1--   -259.3024                82.8063                -1.5599
 Raman1 Fr= 1--   42676.572                 91.391                 82.548
 ROA1   Fr= 1--  402933.542             -40413.968              -1760.093
 CID1   Fr= 1--       9.442               -442.209                -21.322
 Raman2 Fr= 1--   10690.022                 39.077                 20.358
 ROA2   Fr= 1--  104882.224             -11428.392               -415.065
 CID2   Fr= 1--       9.811               -292.459                -20.388
 Raman3 Fr= 1--   21380.044                 78.154                 40.716
 ROA3   Fr= 1--  402933.542             -40413.968              -1760.093
 CID3   Fr= 1--      18.846               -517.109                -43.228
 RC180  Fr= 1--       0.002                  0.710                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--      7.0311              3985.7161                 1.4280
  Dep-P Fr= 1--      0.7500                 0.3340                 0.5887
  Dep-U Fr= 1--      0.8571                 0.5008                 0.7411
 Alpha2 Fr= 1--      0.0000                36.8240                 0.0043
 Beta2  Fr= 1--      1.0044               332.6620                 0.1764
 AlphaG Fr= 1--     -0.0001                44.1225                 0.0075
 Gamma2 Fr= 1--   -200.3833              1553.7966               -17.1910
 Delta2 Fr= 1--     23.9125              -165.8963                -0.4596
 Raman1 Fr= 1--      28.124              15942.865                  5.712
 ROA1   Fr= 1--  -18471.600             143855.794              -1665.046
 CID1   Fr= 1--    -656.780                  9.023               -291.509
 Raman2 Fr= 1--      12.053               3991.944                  2.117
 ROA2   Fr= 1--   -5000.500              38618.289               -408.909
 CID2   Fr= 1--    -414.868                  9.674               -193.198
 Raman3 Fr= 1--      24.106               7983.889                  4.233
 ROA3   Fr= 1--  -18471.600             143855.794              -1665.046
 CID3   Fr= 1--    -766.250                 18.018               -393.344
 RC180  Fr= 1--       0.714                  0.002                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--     66.8096                61.0473              1383.9581
  Dep-P Fr= 1--      0.7304                 0.7497                 0.3046
  Dep-U Fr= 1--      0.8442                 0.8570                 0.4670
 Alpha2 Fr= 1--      0.0224                 0.0003                13.9998
 Beta2  Fr= 1--      9.4001                 8.7193               107.7093
 AlphaG Fr= 1--      0.4078                -0.0025                31.2153
 Gamma2 Fr= 1--    -52.5595             -1284.0263               777.4800
 Delta2 Fr= 1--     -4.3607               237.1732               -23.7203
 Raman1 Fr= 1--     267.239                244.189               5535.832
 ROA1   Fr= 1--   -5185.255            -115676.983              73879.031
 CID1   Fr= 1--     -19.403               -473.719                 13.346
 Raman2 Fr= 1--     112.801                104.632               1292.512
 ROA2   Fr= 1--   -1226.543             -32714.016              18849.283
 CID2   Fr= 1--     -10.873               -312.659                 14.583
 Raman3 Fr= 1--     225.602                209.263               2585.024
 ROA3   Fr= 1--   -5185.255            -115676.983              73879.031
 CID3   Fr= 1--     -22.984               -552.782                 28.580
 RC180  Fr= 1--       0.688                  0.714                 -0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      5.8997                23.8186              1876.6992
  Dep-P Fr= 1--      0.6883                 0.4141                 0.3276
  Dep-U Fr= 1--      0.8154                 0.5856                 0.4935
 Alpha2 Fr= 1--      0.0064                 0.1677                17.6930
 Beta2  Fr= 1--      0.8017                 2.3249               154.3591
 AlphaG Fr= 1--      0.0161                 0.8131                85.2941
 Gamma2 Fr= 1--      5.0731               -60.7329              1197.7031
 Delta2 Fr= 1--     14.2461                10.8655               -36.6790
 Raman1 Fr= 1--      23.599                 95.274               7506.797
 ROA1   Fr= 1--     942.893              -5482.665             113805.772
 CID1   Fr= 1--      39.955                -57.546                 15.160
 Raman2 Fr= 1--       9.621                 27.899               1852.309
 ROA2   Fr= 1--       7.786              -1544.515              29038.308
 CID2   Fr= 1--       0.809                -55.362                 15.677
 Raman3 Fr= 1--      19.242                 55.797               3704.618
 ROA3   Fr= 1--     942.893              -5482.665             113805.772
 CID3   Fr= 1--      49.003                -98.261                 30.720
 RC180  Fr= 1--       0.631                  0.171                 -0.013
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--      2.5175              4620.3010               226.8197
  Dep-P Fr= 1--      0.7338                 0.3450                 0.3930
  Dep-U Fr= 1--      0.8465                 0.5130                 0.5642
 Alpha2 Fr= 1--      0.0007                41.2271                 1.7226
 Beta2  Fr= 1--      0.3552               395.0120                21.3291
 AlphaG Fr= 1--      0.0019                11.2411                 3.7632
 Gamma2 Fr= 1--    -60.1562              1275.0394               -55.8268
 Delta2 Fr= 1--      9.5539              -105.6437                -6.4930
 Raman1 Fr= 1--      10.070              18481.204                907.279
 ROA1   Fr= 1--   -5469.269             119023.183              -5567.148
 CID1   Fr= 1--    -543.133                  6.440                 -6.136
 Raman2 Fr= 1--       4.262               4740.144                255.949
 ROA2   Fr= 1--   -1520.180              31446.095              -1287.899
 CID2   Fr= 1--    -356.679                  6.634                 -5.032
 Raman3 Fr= 1--       8.524               9480.287                511.897
 ROA3   Fr= 1--   -5469.269             119023.183              -5567.148
 CID3   Fr= 1--    -641.626                 12.555                -10.876
 RC180  Fr= 1--       0.693                  0.026                  0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--     29.7411                 1.3276                 9.1787
  Dep-P Fr= 1--      0.7499                 0.7445                 0.3527
  Dep-U Fr= 1--      0.8571                 0.8535                 0.5215
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0799
 Beta2  Fr= 1--      4.2485                 0.1889                 0.7978
 AlphaG Fr= 1--     -0.0007                 0.0002                 0.1424
 Gamma2 Fr= 1--   -444.5425                 7.5660                32.8151
 Delta2 Fr= 1--    157.4884                 4.3423                -0.8417
 Raman1 Fr= 1--     118.964                  5.310                 36.715
 ROA1   Fr= 1--  -37636.447                865.289               3123.315
 CID1   Fr= 1--    -316.368                162.948                 85.069
 Raman2 Fr= 1--      50.982                  2.266                  9.573
 ROA2   Fr= 1--  -11928.926                146.846                794.296
 CID2   Fr= 1--    -233.982                 64.797                 82.970
 Raman3 Fr= 1--     101.964                  4.532                 19.147
 ROA3   Fr= 1--  -37636.447                865.289               3123.315
 CID3   Fr= 1--    -369.113                190.908                163.127
 RC180  Fr= 1--       0.714                  0.707                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--     10.0775              1135.0389                67.7795
  Dep-P Fr= 1--      0.4127                 0.3441                 0.3219
  Dep-U Fr= 1--      0.5842                 0.5120                 0.4870
 Alpha2 Fr= 1--      0.0713                10.1552                 0.6504
 Beta2  Fr= 1--      0.9813                96.8650                 5.5018
 AlphaG Fr= 1--      0.1606                20.8106                -5.4828
 Gamma2 Fr= 1--    -56.4484               543.4939                13.8337
 Delta2 Fr= 1--     19.5801               -36.0496                -2.5022
 Raman1 Fr= 1--      40.310               4540.155                271.118
 ROA1   Fr= 1--   -4792.479              51021.825               1247.961
 CID1   Fr= 1--    -118.891                 11.238                  4.603
 Raman2 Fr= 1--      11.775               1162.380                 66.022
 ROA2   Fr= 1--   -1511.402              13332.249                352.025
 CID2   Fr= 1--    -128.355                 11.470                  5.332
 Raman3 Fr= 1--      23.550               2324.759                132.044
 ROA3   Fr= 1--   -4792.479              51021.825               1247.961
 CID3   Fr= 1--    -203.499                 21.947                  9.451
 RC180  Fr= 1--       0.168                  0.024                 -0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--     21.9415                17.8001                 7.2240
  Dep-P Fr= 1--      0.7013                 0.5385                 0.6794
  Dep-U Fr= 1--      0.8244                 0.7000                 0.8091
 Alpha2 Fr= 1--      0.0186                 0.0725                 0.0090
 Beta2  Fr= 1--      3.0149                 2.0767                 0.9741
 AlphaG Fr= 1--     -0.1557                -0.2190                -0.0271
 Gamma2 Fr= 1--   -180.0186                -4.8521                26.1300
 Delta2 Fr= 1--     49.1776                 1.7061                 3.3042
 Raman1 Fr= 1--      87.766                 71.201                 28.896
 ROA1   Fr= 1--  -15708.098               -411.207               2614.209
 CID1   Fr= 1--    -178.977                 -5.775                 90.470
 Raman2 Fr= 1--      36.179                 24.921                 11.690
 ROA2   Fr= 1--   -4713.866               -130.100                600.686
 CID2   Fr= 1--    -130.293                 -5.221                 51.386
 Raman3 Fr= 1--      72.358                 49.842                 23.380
 ROA3   Fr= 1--  -15708.098               -411.207               2614.209
 CID3   Fr= 1--    -217.089                 -8.250                111.816
 RC180  Fr= 1--       0.649                  0.400                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--   2582.4741               360.1977                 9.7968
  Dep-P Fr= 1--      0.3540                 0.3561                 0.3225
  Dep-U Fr= 1--      0.5228                 0.5252                 0.4877
 Alpha2 Fr= 1--     22.3824                 3.0997                 0.0938
 Beta2  Fr= 1--    225.0383                31.5302                 0.7963
 AlphaG Fr= 1--     28.5153                 3.9949                -0.4832
 Gamma2 Fr= 1--    640.6793               122.8028                -2.0519
 Delta2 Fr= 1--    -61.7008                -3.9006                -5.9224
 Raman1 Fr= 1--   10329.896               1440.791                 39.187
 ROA1   Fr= 1--   59530.786              11664.255               -386.500
 CID1   Fr= 1--       5.763                  8.096                 -9.863
 Raman2 Fr= 1--    2700.459                378.362                  9.555
 ROA2   Fr= 1--   15869.909               2978.473                 -1.866
 CID2   Fr= 1--       5.877                  7.872                 -0.195
 Raman3 Fr= 1--    5400.918                756.724                 19.111
 ROA3   Fr= 1--   59530.786              11664.255               -386.500
 CID3   Fr= 1--      11.022                 15.414                -20.224
 RC180  Fr= 1--       0.046                  0.050                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--      4.8144                12.2495                29.6120
  Dep-P Fr= 1--      0.5525                 0.4835                 0.4812
  Dep-U Fr= 1--      0.7118                 0.6518                 0.6497
 Alpha2 Fr= 1--      0.0181                 0.0652                 0.1593
 Beta2  Fr= 1--      0.5711                 1.3308                 3.2065
 AlphaG Fr= 1--     -0.0893                 0.3355                 0.8242
 Gamma2 Fr= 1--      5.3273                -1.1473                 1.1418
 Delta2 Fr= 1--      0.6698                -0.6844                -2.1376
 Raman1 Fr= 1--      19.258                 48.998                118.448
 ROA1   Fr= 1--     532.857               -132.037                 41.210
 CID1   Fr= 1--      27.670                 -2.695                  0.348
 Raman2 Fr= 1--       6.854                 15.970                 38.478
 ROA2   Fr= 1--     122.498                -22.059                 44.504
 CID2   Fr= 1--      17.873                 -1.381                  1.157
 Raman3 Fr= 1--      13.707                 31.939                 76.957
 ROA3   Fr= 1--     532.857               -132.037                 41.210
 CID3   Fr= 1--      38.874                 -4.134                  0.535
 RC180  Fr= 1--       0.424                  0.304                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--      8.0957                 8.3862                33.4221
  Dep-P Fr= 1--      0.7157                 0.5992                 0.2962
  Dep-U Fr= 1--      0.8343                 0.7494                 0.4570
 Alpha2 Fr= 1--      0.0048                 0.0234                 0.3467
 Beta2  Fr= 1--      1.1258                 1.0474                 2.5455
 AlphaG Fr= 1--     -0.0499                -0.2302                 1.1257
 Gamma2 Fr= 1--     -0.8724                 8.9773                17.3494
 Delta2 Fr= 1--      5.5463                 1.7437                 0.4869
 Raman1 Fr= 1--      32.383                 33.545                133.689
 ROA1   Fr= 1--      93.730                917.619               1681.122
 CID1   Fr= 1--       2.894                 27.355                 12.575
 Raman2 Fr= 1--      13.509                 12.569                 30.546
 ROA2   Fr= 1--     -65.308                201.505                412.489
 CID2   Fr= 1--      -4.834                 16.032                 13.504
 Raman3 Fr= 1--      27.018                 25.137                 61.093
 ROA3   Fr= 1--      93.730                917.619               1681.122
 CID3   Fr= 1--       3.469                 36.504                 27.517
 RC180  Fr= 1--       0.669                  0.499                 -0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--     45.7384               396.9870                26.4230
  Dep-P Fr= 1--      0.2930                 0.3150                 0.3159
  Dep-U Fr= 1--      0.4533                 0.4791                 0.4802
 Alpha2 Fr= 1--      0.4789                 3.8913                 0.2582
 Beta2  Fr= 1--      3.4552                31.6967                 2.1146
 AlphaG Fr= 1--      1.5421               -12.8164                -0.8546
 Gamma2 Fr= 1--     23.7734                94.3511                11.5863
 Delta2 Fr= 1--      0.5755               -28.5967                -2.5878
 Raman1 Fr= 1--     182.954               1587.948                105.692
 ROA1   Fr= 1--    2300.657               8142.606               1029.474
 CID1   Fr= 1--      12.575                  5.128                  9.740
 Raman2 Fr= 1--      41.463                380.360                 25.376
 ROA2   Fr= 1--     565.957               2493.199                298.773
 CID2   Fr= 1--      13.650                  6.555                 11.774
 Raman3 Fr= 1--      82.926                760.720                 50.751
 ROA3   Fr= 1--    2300.657               8142.606               1029.474
 CID3   Fr= 1--      27.744                 10.704                 20.285
 RC180  Fr= 1--      -0.093                 -0.042                 -0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--      1.7804                 9.0544              2979.1927
  Dep-P Fr= 1--      0.7463                 0.6436                 0.3639
  Dep-U Fr= 1--      0.8547                 0.7831                 0.5336
 Alpha2 Fr= 1--      0.0001                 0.0174                24.9863
 Beta2  Fr= 1--      0.2536                 1.1818               264.9726
 AlphaG Fr= 1--     -0.0023                -1.4546                72.2248
 Gamma2 Fr= 1--      4.2305                22.5153               110.1502
 Delta2 Fr= 1--      6.8435                -4.2709                73.0786
 Raman1 Fr= 1--       7.122                 36.218              11916.771
 ROA1   Fr= 1--     625.117               2024.802              12912.937
 CID1   Fr= 1--      87.779                 55.907                  1.084
 Raman2 Fr= 1--       3.043                 14.182               3179.671
 ROA2   Fr= 1--      46.784                574.535               2058.976
 CID2   Fr= 1--      15.372                 40.512                  0.648
 Raman3 Fr= 1--       6.087                 28.364               6359.342
 ROA3   Fr= 1--     625.117               2024.802              12912.937
 CID3   Fr= 1--     102.697                 71.387                  2.031
 RC180  Fr= 1--       0.709                  0.566                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--     47.5143                 5.8091               128.2695
  Dep-P Fr= 1--      0.4126                 0.7497                 0.3557
  Dep-U Fr= 1--      0.5842                 0.8570                 0.5247
 Alpha2 Fr= 1--      0.3362                 0.0000                 1.1055
 Beta2  Fr= 1--      4.6264                 0.8297                11.2176
 AlphaG Fr= 1--      0.9364                -0.0007                -5.4151
 Gamma2 Fr= 1--   -365.3757                59.8799              -121.4322
 Delta2 Fr= 1--     -0.3758                 0.4664                13.5374
 Raman1 Fr= 1--     190.057                 23.236                513.078
 ROA1   Fr= 1--  -35088.095               5763.393             -11224.297
 CID1   Fr= 1--    -184.618                248.034                -21.876
 Raman2 Fr= 1--      55.517                  9.956                134.612
 ROA2   Fr= 1--   -8766.011               1433.386              -3022.673
 CID2   Fr= 1--    -157.897                143.968                -22.455
 Raman3 Fr= 1--     111.034                 19.913                269.224
 ROA3   Fr= 1--  -35088.095               5763.393             -11224.297
 CID3   Fr= 1--    -316.011                289.435                -41.691
 RC180  Fr= 1--       0.168                  0.714                  0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--     53.2912              3879.4049                 0.9816
  Dep-P Fr= 1--      0.3708                 0.3564                 0.7378
  Dep-U Fr= 1--      0.5410                 0.5255                 0.8491
 Alpha2 Fr= 1--      0.4367                33.3574                 0.0002
 Beta2  Fr= 1--      4.8055               339.7605                 0.1389
 AlphaG Fr= 1--      1.7474               135.0377                 0.0007
 Gamma2 Fr= 1--    125.7240               860.7108               -15.8607
 Delta2 Fr= 1--     13.8845               104.2661                 2.5027
 Raman1 Fr= 1--     213.165              15517.619                  3.926
 ROA1   Fr= 1--   12513.805              85964.749              -1442.538
 CID1   Fr= 1--      58.705                  5.540               -367.409
 Raman2 Fr= 1--      57.666               4077.126                  1.667
 ROA2   Fr= 1--    2906.300              19822.930               -400.677
 CID2   Fr= 1--      50.399                  4.862               -240.361
 Raman3 Fr= 1--     115.332               8154.251                  3.334
 ROA3   Fr= 1--   12513.805              85964.749              -1442.538
 CID3   Fr= 1--     108.502                 10.542               -432.680
 RC180  Fr= 1--       0.082                  0.051                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--     62.0689                28.2513                 0.7871
  Dep-P Fr= 1--      0.5387                 0.5188                 0.6738
  Dep-U Fr= 1--      0.7002                 0.6832                 0.8051
 Alpha2 Fr= 1--      0.2525                 0.1274                 0.0011
 Beta2  Fr= 1--      7.2438                 3.2168                 0.1056
 AlphaG Fr= 1--      1.6960                -2.1071                -0.0147
 Gamma2 Fr= 1--    119.2312               -70.7187               -34.5654
 Delta2 Fr= 1--    -15.2282                14.7055                -6.8944
 Raman1 Fr= 1--     248.276                113.005                  3.149
 ROA1   Fr= 1--   10958.891              -6318.422              -3538.899
 CID1   Fr= 1--      44.140                -55.913              -1123.975
 Raman2 Fr= 1--      86.925                 38.602                  1.268
 ROA2   Fr= 1--    2983.374              -1814.894               -774.414
 CID2   Fr= 1--      34.321                -47.016               -610.973
 Raman3 Fr= 1--     173.851                 77.204                  2.535
 ROA3   Fr= 1--   10958.891              -6318.422              -3538.899
 CID3   Fr= 1--      63.036                -81.841              -1396.005
 RC180  Fr= 1--       0.400                  0.366                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--      4.5451               821.3696                 0.6983
  Dep-P Fr= 1--      0.6503                 0.4228                 0.5543
  Dep-U Fr= 1--      0.7881                 0.5943                 0.7133
 Alpha2 Fr= 1--      0.0081                 5.5970                 0.0026
 Beta2  Fr= 1--      0.5970                81.3575                 0.0830
 AlphaG Fr= 1--      0.0124                 6.0896                 0.0023
 Gamma2 Fr= 1--    -81.7471               134.0079                26.1714
 Delta2 Fr= 1--      4.5888                64.4388                -0.5194
 Raman1 Fr= 1--      18.180               3285.478                  2.793
 ROA1   Fr= 1--   -7700.876              14926.800               2495.829
 CID1   Fr= 1--    -423.585                  4.543                893.510
 Raman2 Fr= 1--       7.164                976.290                  0.996
 ROA2   Fr= 1--   -1998.640               2700.679                632.268
 CID2   Fr= 1--    -278.995                  2.766                634.700
 Raman3 Fr= 1--      14.327               1952.580                  1.992
 ROA3   Fr= 1--   -7700.876              14926.800               2495.829
 CID3   Fr= 1--    -537.491                  7.645               1252.715
 RC180  Fr= 1--       0.576                  0.189                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--   2453.7005               106.4917                 2.9787
  Dep-P Fr= 1--      0.3432                 0.3698                 0.6055
  Dep-U Fr= 1--      0.5110                 0.5399                 0.7543
 Alpha2 Fr= 1--     22.0206                 0.8759                 0.0079
 Beta2  Fr= 1--    208.9675                 9.5825                 0.3745
 AlphaG Fr= 1--     31.6903                -7.2662                -0.0700
 Gamma2 Fr= 1--    951.5676                 0.6244               -44.4981
 Delta2 Fr= 1--    -19.7863                 1.0794                 0.5689
 Raman1 Fr= 1--    9814.802                425.967                 11.915
 ROA1   Fr= 1--   90717.327                 94.486              -4253.614
 CID1   Fr= 1--       9.243                  0.222               -357.004
 Raman2 Fr= 1--    2507.610                114.990                  4.494
 ROA2   Fr= 1--   22995.912                  6.350              -1072.506
 CID2   Fr= 1--       9.170                  0.055               -238.665
 Raman3 Fr= 1--    5015.220                229.979                  8.988
 ROA3   Fr= 1--   90717.327                 94.486              -4253.614
 CID3   Fr= 1--      18.088                  0.411               -473.279
 RC180  Fr= 1--       0.022                  0.080                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--     12.7323               442.4790                 3.6478
  Dep-P Fr= 1--      0.7415                 0.3086                 0.7499
  Dep-U Fr= 1--      0.8516                 0.4716                 0.8570
 Alpha2 Fr= 1--      0.0018                 4.4225                 0.0000
 Beta2  Fr= 1--      1.8070                34.7810                 0.5211
 AlphaG Fr= 1--     -0.0021                -4.6719                 0.0000
 Gamma2 Fr= 1--   -114.5171               256.1710                54.6150
 Delta2 Fr= 1--     11.0961               -24.5681                27.7412
 Raman1 Fr= 1--      50.929               1769.916                 14.591
 ROA1   Fr= 1--  -10638.563              23806.239               6130.759
 CID1   Fr= 1--    -208.889                 13.450                420.170
 Raman2 Fr= 1--      21.685                417.372                  6.253
 ROA2   Fr= 1--   -2837.178               6344.649               1088.830
 CID2   Fr= 1--    -130.839                 15.201                174.139
 Raman3 Fr= 1--      43.369                834.743                 12.505
 ROA3   Fr= 1--  -10638.563              23806.239               6130.759
 CID3   Fr= 1--    -245.303                 28.519                490.254
 RC180  Fr= 1--       0.703                 -0.057                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--   4224.2003               845.1757                 1.1240
  Dep-P Fr= 1--      0.3310                 0.3758                 0.6198
  Dep-U Fr= 1--      0.4973                 0.5463                 0.7653
 Alpha2 Fr= 1--     39.4065                 6.8117                 0.0027
 Beta2  Fr= 1--    350.1297                76.9500                 0.1434
 AlphaG Fr= 1--     27.1739                19.7887                 0.0098
 Gamma2 Fr= 1--    977.9254               119.4831                28.2697
 Delta2 Fr= 1--   -121.5286                42.6952                 5.9289
 Raman1 Fr= 1--   16896.801               3380.703                  4.496
 ROA1   Fr= 1--   89991.919              12836.627               2903.615
 CID1   Fr= 1--       5.326                  3.797                645.842
 Raman2 Fr= 1--    4201.556                923.400                  1.720
 ROA2   Fr= 1--   24442.438               2526.034                631.041
 CID2   Fr= 1--       5.817                  2.736                366.828
 Raman3 Fr= 1--    8403.112               1846.799                  3.441
 ROA3   Fr= 1--   89991.919              12836.627               2903.615
 CID3   Fr= 1--      10.709                  6.951                843.944
 RC180  Fr= 1--      -0.005                  0.093                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      8.4085               216.4228              4453.8365
  Dep-P Fr= 1--      0.6873                 0.3802                 0.3571
  Dep-U Fr= 1--      0.8147                 0.5510                 0.5263
 Alpha2 Fr= 1--      0.0093                 1.7179                38.2081
 Beta2  Fr= 1--      1.1417                19.8741               390.6389
 AlphaG Fr= 1--      0.0390                 7.3979               110.0557
 Gamma2 Fr= 1--    -53.3076               192.5186                99.9841
 Delta2 Fr= 1--      0.9247                11.9089               229.4130
 Raman1 Fr= 1--      33.634                865.691              17815.346
 ROA1   Fr= 1--   -5087.936              18862.872              16939.686
 CID1   Fr= 1--    -151.274                 21.789                  0.951
 Raman2 Fr= 1--      13.701                238.489               4687.666
 ROA2   Fr= 1--   -1286.779               4525.176                564.314
 CID2   Fr= 1--     -93.921                 18.974                  0.120
 Raman3 Fr= 1--      27.401                476.978               9375.332
 ROA3   Fr= 1--   -5087.936              18862.872              16939.686
 CID3   Fr= 1--    -185.681                 39.547                  1.807
 RC180  Fr= 1--       0.629                  0.102                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--     14.8712               127.8964                 2.6274
  Dep-P Fr= 1--      0.7483                 0.7261                 0.7475
  Dep-U Fr= 1--      0.8561                 0.8413                 0.8555
 Alpha2 Fr= 1--      0.0004                 0.0526                 0.0001
 Beta2  Fr= 1--      2.1218                17.9330                 0.3746
 AlphaG Fr= 1--     -0.0005                 1.1369                 0.0007
 Gamma2 Fr= 1--   -443.6230               -46.5701                 5.5253
 Delta2 Fr= 1--      8.5420                 0.8875               -11.9066
 Raman1 Fr= 1--      59.485                511.586                 10.509
 ROA1   Fr= 1--  -42314.469              -4442.326                149.414
 CID1   Fr= 1--    -711.350                 -8.683                 14.217
 Raman2 Fr= 1--      25.461                215.196                  4.495
 ROA2   Fr= 1--  -10715.289              -1124.782                227.859
 CID2   Fr= 1--    -420.849                 -5.227                 50.688
 Raman3 Fr= 1--      50.922                430.393                  8.991
 ROA3   Fr= 1--  -42314.469              -4442.326                149.414
 CID3   Fr= 1--    -830.962                -10.322                 16.619
 RC180  Fr= 1--       0.712                  0.683                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--    121.9540                29.6260             14444.2606
  Dep-P Fr= 1--      0.4192                 0.5028                 0.3494
  Dep-U Fr= 1--      0.5908                 0.6692                 0.5179
 Alpha2 Fr= 1--      0.8422                 0.1444               127.0488
 Beta2  Fr= 1--     12.0080                 3.3041              1246.7233
 AlphaG Fr= 1--      6.5409                 1.1193               253.9863
 Gamma2 Fr= 1--    -73.9117               -81.1425               581.9518
 Delta2 Fr= 1--     28.9966                 0.7556               319.3207
 Raman1 Fr= 1--     487.816                118.504              57777.042
 ROA1   Fr= 1--   -6167.630              -7765.501              66085.631
 CID1   Fr= 1--     -12.643                -65.529                  1.144
 Raman2 Fr= 1--     144.096                 39.650              14960.680
 ROA2   Fr= 1--   -2005.853              -1953.464              11412.277
 CID2   Fr= 1--     -13.920                -49.268                  0.763
 Raman3 Fr= 1--     288.191                 79.299              29921.359
 ROA3   Fr= 1--   -6167.630              -7765.501              66085.631
 CID3   Fr= 1--     -21.401                -97.926                  2.209
 RC180  Fr= 1--       0.182                  0.338                  0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--      6.6549                 0.2161                32.9203
  Dep-P Fr= 1--      0.5900                 0.5239                 0.3627
  Dep-U Fr= 1--      0.7421                 0.6876                 0.5323
 Alpha2 Fr= 1--      0.0198                 0.0010                 0.2772
 Beta2  Fr= 1--      0.8231                 0.0248                 2.9208
 AlphaG Fr= 1--      0.0228                 0.0031                 0.8563
 Gamma2 Fr= 1--    -30.7122                -0.2983                 1.2945
 Delta2 Fr= 1--    -40.6052                 0.0173                 0.5656
 Raman1 Fr= 1--      26.620                  0.864                131.681
 ROA1   Fr= 1--   -4247.736                -28.088                142.368
 CID1   Fr= 1--    -159.572                -32.495                  1.081
 Raman2 Fr= 1--       9.877                  0.297                 35.049
 ROA2   Fr= 1--    -412.252                 -7.298                 26.542
 CID2   Fr= 1--     -41.737                -24.560                  0.757
 Raman3 Fr= 1--      19.755                  0.594                 70.098
 ROA3   Fr= 1--   -4247.736                -28.088                142.368
 CID3   Fr= 1--    -215.022                -47.260                  2.031
 RC180  Fr= 1--       0.484                  0.375                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--    294.0143               407.0900               234.8025
  Dep-P Fr= 1--      0.3215                 0.3215                 0.4056
  Dep-U Fr= 1--      0.4866                 0.4866                 0.5771
 Alpha2 Fr= 1--      2.8247                 3.9105                 1.7046
 Beta2  Fr= 1--     23.8431                33.0166                22.5853
 AlphaG Fr= 1--      3.8776                 5.3379                 5.5484
 Gamma2 Fr= 1--     43.2257                60.1707                74.5601
 Delta2 Fr= 1--      2.6482                 3.9355                 6.7497
 Raman1 Fr= 1--    1176.057               1628.360                939.210
 ROA1   Fr= 1--    4234.411               5902.323               7373.764
 CID1   Fr= 1--       3.601                  3.625                  7.851
 Raman2 Fr= 1--     286.117                396.199                271.023
 ROA2   Fr= 1--    1016.232               1412.613               1735.446
 CID2   Fr= 1--       3.552                  3.565                  6.403
 Raman3 Fr= 1--     572.233                792.399                542.047
 ROA3   Fr= 1--    4234.411               5902.323               7373.764
 CID3   Fr= 1--       7.400                  7.449                 13.604
 RC180  Fr= 1--      -0.027                 -0.027                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      1.9968              3194.8387                81.8689
  Dep-P Fr= 1--      0.6221                 0.3478                 0.7494
  Dep-U Fr= 1--      0.7670                 0.5161                 0.8567
 Alpha2 Fr= 1--      0.0047                28.2442                 0.0009
 Beta2  Fr= 1--      0.2553               274.8358                11.6900
 AlphaG Fr= 1--      0.0134               101.8780                -0.0050
 Gamma2 Fr= 1--    -47.4851              1401.5599             -2737.0747
 Delta2 Fr= 1--      6.0832               -33.6289               419.3405
 Raman1 Fr= 1--       7.987              12779.355                327.476
 ROA1   Fr= 1--   -4363.905             133473.621            -249340.273
 CID1   Fr= 1--    -546.359                 10.444               -761.401
 Raman2 Fr= 1--       3.063               3298.029                140.279
 ROA2   Fr= 1--   -1188.308              33906.467             -69044.516
 CID2   Fr= 1--    -387.941                 10.281               -492.193
 Raman3 Fr= 1--       6.126               6596.059                280.559
 ROA3   Fr= 1--   -4363.905             133473.621            -249340.273
 CID3   Fr= 1--    -712.331                 20.235               -888.727
 RC180  Fr= 1--       0.534                  0.032                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--    345.5270                25.0862                 1.5591
  Dep-P Fr= 1--      0.2978                 0.3781                 0.4165
  Dep-U Fr= 1--      0.4589                 0.5488                 0.5881
 Alpha2 Fr= 1--      3.5677                 0.2006                 0.0109
 Beta2  Fr= 1--     26.4256                 2.2944                 0.1528
 AlphaG Fr= 1--      7.0363                 0.4108                 0.0272
 Gamma2 Fr= 1--     72.8801                26.7403                 4.2714
 Delta2 Fr= 1--     -6.6767                -8.2616                 1.1140
 Raman1 Fr= 1--    1382.108                100.345                  6.236
 ROA1   Fr= 1--    6782.836               2302.696                445.703
 CID1   Fr= 1--       4.908                 22.948                 71.469
 Raman2 Fr= 1--     317.107                 27.532                  1.834
 ROA2   Fr= 1--    1802.537                707.860                 93.602
 CID2   Fr= 1--       5.684                 25.710                 51.043
 Raman3 Fr= 1--     634.213                 55.065                  3.668
 ROA3   Fr= 1--    6782.836               2302.696                445.703
 CID3   Fr= 1--      10.695                 41.818                121.526
 RC180  Fr= 1--      -0.082                  0.098                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--     69.4969                11.1944               276.1086
  Dep-P Fr= 1--      0.3214                 0.7489                 0.3347
  Dep-U Fr= 1--      0.4865                 0.8564                 0.5016
 Alpha2 Fr= 1--      0.6678                 0.0002                 2.5453
 Beta2  Fr= 1--      5.6350                 1.5978                23.0814
 AlphaG Fr= 1--      1.6482                 0.0004                 4.7057
 Gamma2 Fr= 1--     27.6981                 0.1278                35.0844
 Delta2 Fr= 1--     -1.8024                 6.8699                -0.5462
 Raman1 Fr= 1--     277.988                 44.778               1104.434
 ROA1   Fr= 1--    2601.337                232.104               3350.619
 CID1   Fr= 1--       9.358                  5.183                  3.034
 Raman2 Fr= 1--      67.621                 19.174                276.976
 ROA2   Fr= 1--     679.173                -51.893                846.394
 CID2   Fr= 1--      10.044                 -2.706                  3.056
 Raman3 Fr= 1--     135.241                 38.348                553.953
 ROA3   Fr= 1--    2601.337                232.104               3350.619
 CID3   Fr= 1--      19.235                  6.053                  6.049
 RC180  Fr= 1--      -0.027                  0.713                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--     17.3831                 0.7365                52.7306
  Dep-P Fr= 1--      0.4632                 0.7493                 0.2522
  Dep-U Fr= 1--      0.6332                 0.8567                 0.4028
 Alpha2 Fr= 1--      0.1009                 0.0000                 0.6212
 Beta2  Fr= 1--      1.8344                 0.1052                 3.5397
 AlphaG Fr= 1--      0.4218                -0.0000                 1.8687
 Gamma2 Fr= 1--     -9.8630                -0.0899                 8.9063
 Delta2 Fr= 1--     -4.4972                 3.2786               -13.8604
 Raman1 Fr= 1--      69.532                  2.946                210.922
 ROA1   Fr= 1--   -1090.763                 96.281                411.473
 CID1   Fr= 1--     -15.687                 32.682                  1.951
 Raman2 Fr= 1--      22.012                  1.262                 42.477
 ROA2   Fr= 1--    -200.735                -28.387                324.634
 CID2   Fr= 1--      -9.119                -22.495                  7.643
 Raman3 Fr= 1--      44.025                  2.524                 84.953
 ROA3   Fr= 1--   -1090.763                 96.281                411.473
 CID3   Fr= 1--     -24.776                 38.148                  4.844
 RC180  Fr= 1--       0.266                  0.713                 -0.194
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      2.2965                 9.7171               208.9671
  Dep-P Fr= 1--      0.7412                 0.3818                 0.2792
  Dep-U Fr= 1--      0.8514                 0.5526                 0.4365
 Alpha2 Fr= 1--      0.0003                 0.0767                 2.2789
 Beta2  Fr= 1--      0.3259                 0.8950                15.2022
 AlphaG Fr= 1--      0.0016                 0.1044                 2.9699
 Gamma2 Fr= 1--    -23.6830                24.3308                30.8603
 Delta2 Fr= 1--      1.1269                -2.2841               -10.9867
 Raman1 Fr= 1--       9.186                 38.868                835.869
 ROA1   Fr= 1--   -2237.502               2262.670               2611.016
 CID1   Fr= 1--    -243.578                 58.214                  3.124
 Raman2 Fr= 1--       3.910                 10.740                182.427
 ROA2   Fr= 1--    -577.406                602.212                828.542
 CID2   Fr= 1--    -147.659                 56.071                  4.542
 Raman3 Fr= 1--       7.821                 21.480                364.853
 ROA3   Fr= 1--   -2237.502               2262.670               2611.016
 CID3   Fr= 1--    -286.096                105.338                  7.156
 RC180  Fr= 1--       0.703                  0.105                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--     21.9716               189.3744                20.0098
  Dep-P Fr= 1--      0.6115                 0.3712                 0.7500
  Dep-U Fr= 1--      0.7589                 0.5414                 0.8571
 Alpha2 Fr= 1--      0.0560                 1.5503                 0.0000
 Beta2  Fr= 1--      2.7791                17.0871                 2.8585
 AlphaG Fr= 1--      0.0686                 1.9381                 0.0001
 Gamma2 Fr= 1--      5.4397                93.7978                -1.6043
 Delta2 Fr= 1--      7.4646               -17.5727                15.3150
 Raman1 Fr= 1--      87.886                757.498                 80.039
 ROA1   Fr= 1--     761.082               8442.267                336.071
 CID1   Fr= 1--       8.660                 11.145                  4.199
 Raman2 Fr= 1--      33.349                205.045                 34.302
 ROA2   Fr= 1--      70.837               2391.730               -161.023
 CID2   Fr= 1--       2.124                 11.664                 -4.694
 Raman3 Fr= 1--      66.698                410.090                 68.604
 ROA3   Fr= 1--     761.082               8442.267                336.071
 CID3   Fr= 1--      11.411                 20.586                  4.899
 RC180  Fr= 1--       0.518                  0.083                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--      6.3214              6962.0618                12.1826
  Dep-P Fr= 1--      0.5640                 0.4215                 0.7319
  Dep-U Fr= 1--      0.7212                 0.5930                 0.8452
 Alpha2 Fr= 1--      0.0223                47.6712                 0.0038
 Beta2  Fr= 1--      0.7598               688.1223                 1.7162
 AlphaG Fr= 1--      0.3081               131.9355                -0.0052
 Gamma2 Fr= 1--     18.5601              1464.1561             -1116.6175
 Delta2 Fr= 1--     -0.9160               314.9945               -25.9425
 Raman1 Fr= 1--      25.286              27848.247                 48.731
 ROA1   Fr= 1--    1752.459             150638.804            -108025.438
 CID1   Fr= 1--      69.307                  5.409              -2216.792
 Raman2 Fr= 1--       9.118               8257.467                 20.594
 ROA2   Fr= 1--     452.771              32619.789             -26591.280
 CID2   Fr= 1--      49.658                  3.950              -1291.205
 Raman3 Fr= 1--      18.236              16514.935                 41.188
 ROA3   Fr= 1--    1752.459             150638.804            -108025.438
 CID3   Fr= 1--      96.100                  9.121              -2622.721
 RC180  Fr= 1--       0.442                  0.186                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--      1.9947            279533.6253                12.1554
  Dep-P Fr= 1--      0.7030                 0.3285                 0.7192
  Dep-U Fr= 1--      0.8256                 0.4946                 0.8367
 Alpha2 Fr= 1--      0.0016              2627.4543                 0.0064
 Beta2  Fr= 1--      0.2745             23042.5976                 1.6951
 AlphaG Fr= 1--     -0.0036              5888.5633                -0.0267
 Gamma2 Fr= 1--   -258.5098             66051.4178               -26.6287
 Delta2 Fr= 1--     10.9878             -1087.1670                -5.1839
 Raman1 Fr= 1--       7.979            1118134.501                 48.622
 ROA1   Fr= 1--  -24465.333            6306146.762              -2722.242
 CID1   Fr= 1--   -3066.242                  5.640                -55.988
 Raman2 Fr= 1--       3.294             276511.171                 20.341
 ROA2   Fr= 1--   -6292.139            1593931.363               -597.617
 CID2   Fr= 1--   -1910.364                  5.764                -29.380
 Raman3 Fr= 1--       6.587             553022.341                 40.682
 ROA3   Fr= 1--  -24465.333            6306146.762              -2722.242
 CID3   Fr= 1--   -3713.975                 11.403                -66.916
 RC180  Fr= 1--       0.651                 -0.011                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     33.4182               103.4647               111.6077
  Dep-P Fr= 1--      0.6595                 0.4082                 0.3824
  Dep-U Fr= 1--      0.7948                 0.5797                 0.5532
 Alpha2 Fr= 1--      0.0540                 0.7442                 0.8794
 Beta2  Fr= 1--      4.4267                 9.9967                10.2904
 AlphaG Fr= 1--     -0.2205                -0.0311                -0.0724
 Gamma2 Fr= 1--    -14.2827               -31.6994               -38.1709
 Delta2 Fr= 1--     -0.8178               -28.5930               -27.2234
 Raman1 Fr= 1--     133.673                413.859                446.431
 ROA1   Fr= 1--   -1397.311              -3958.123              -4535.556
 CID1   Fr= 1--     -10.453                 -9.564                -10.160
 Raman2 Fr= 1--      53.121                119.961                123.485
 ROA2   Fr= 1--    -336.243               -532.043               -698.314
 CID2   Fr= 1--      -6.330                 -4.435                 -5.655
 Raman3 Fr= 1--     106.242                239.922                246.970
 ROA3   Fr= 1--   -1397.311              -3958.123              -4535.556
 CID3   Fr= 1--     -13.152                -16.498                -18.365
 RC180  Fr= 1--       0.590                  0.159                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--    143.0613               846.3853               185.5798
  Dep-P Fr= 1--      0.5763                 0.0090                 0.2706
  Dep-U Fr= 1--      0.7312                 0.0179                 0.4259
 Alpha2 Fr= 1--      0.4671                18.4151                 2.0746
 Beta2  Fr= 1--     17.4345                 2.5291                13.1744
 AlphaG Fr= 1--     -0.4627               -18.6188                 1.2863
 Gamma2 Fr= 1--   -277.6886                65.2161                 4.6849
 Delta2 Fr= 1--    116.7077               -22.3097                53.9044
 Raman1 Fr= 1--     572.245               3385.541                742.319
 ROA1   Fr= 1--  -22923.457               5546.835               2174.692
 CID1   Fr= 1--     -40.059                  1.638                  2.930
 Raman2 Fr= 1--     209.214                 30.349                158.092
 ROA2   Fr= 1--   -7598.187               1743.664               -318.797
 CID2   Fr= 1--     -36.318                 57.453                 -2.017
 Raman3 Fr= 1--     418.429                 60.699                316.185
 ROA3   Fr= 1--  -22923.457               5546.835               2174.692
 CID3   Fr= 1--     -54.785                 91.383                  6.878
 RC180  Fr= 1--       0.462                 -0.964                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--    117.1337                63.0438               964.8794
  Dep-P Fr= 1--      0.3420                 0.6793                 0.1025
  Dep-U Fr= 1--      0.5096                 0.8090                 0.1859
 Alpha2 Fr= 1--      1.0553                 0.0786                16.7905
 Beta2  Fr= 1--      9.9492                 8.5007                29.9007
 AlphaG Fr= 1--      0.6649                 0.0175                 4.7234
 Gamma2 Fr= 1--     18.4898               175.3322               -32.4100
 Delta2 Fr= 1--     36.4827               -23.0178               -15.1308
 Raman1 Fr= 1--     468.535                252.175               3859.517
 ROA1   Fr= 1--    2942.462              16095.319              -3595.550
 CID1   Fr= 1--       6.280                 63.826                 -0.932
 Raman2 Fr= 1--     119.390                102.008                358.808
 ROA2   Fr= 1--     151.893               4392.115               -656.795
 CID2   Fr= 1--       1.272                 43.057                 -1.830
 Raman3 Fr= 1--     238.780                204.016                717.617
 ROA3   Fr= 1--    2942.462              16095.319              -3595.550
 CID3   Fr= 1--      12.323                 78.892                 -5.010
 RC180  Fr= 1--       0.019                  0.618                 -0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--     30.8917                31.1270               226.1342
  Dep-P Fr= 1--      0.5985                 0.5990                 0.7427
  Dep-U Fr= 1--      0.7489                 0.7492                 0.8523
 Alpha2 Fr= 1--      0.0867                 0.0871                 0.0281
 Beta2  Fr= 1--      3.8556                 3.8868                32.1241
 AlphaG Fr= 1--      0.6350                 0.6338                 0.7618
 Gamma2 Fr= 1--     -0.9348                -1.3077               -72.5080
 Delta2 Fr= 1--     -3.1750                -3.2892               -65.1648
 Raman1 Fr= 1--     123.567                124.508                904.537
 ROA1   Fr= 1--    -191.342               -230.792              -9046.040
 CID1   Fr= 1--      -1.548                 -1.854                -10.001
 Raman2 Fr= 1--      46.267                 46.641                385.489
 ROA2   Fr= 1--       2.964                 -5.071              -1218.873
 CID2   Fr= 1--       0.064                 -0.109                 -3.162
 Raman3 Fr= 1--      92.534                 93.282                770.978
 ROA3   Fr= 1--    -191.342               -230.792              -9046.040
 CID3   Fr= 1--      -2.068                 -2.474                -11.733
 RC180  Fr= 1--       0.498                  0.498                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    136.4923                60.8561               144.6770
  Dep-P Fr= 1--      0.7494                 0.3509                 0.2948
  Dep-U Fr= 1--      0.8567                 0.5195                 0.4554
 Alpha2 Fr= 1--      0.0015                 0.5328                 1.5070
 Beta2  Fr= 1--     19.4893                 5.2688                10.9801
 AlphaG Fr= 1--      0.0423                -0.4147                -1.1300
 Gamma2 Fr= 1--     69.3777                 3.5576                -1.9797
 Delta2 Fr= 1--     48.8802                -2.9089                -6.3353
 Raman1 Fr= 1--     545.969                243.424                578.708
 ROA1   Fr= 1--    8224.424                248.449               -392.778
 CID1   Fr= 1--      15.064                  1.021                 -0.679
 Raman2 Fr= 1--     233.871                 63.226                131.761
 ROA2   Fr= 1--    1274.022                108.655                  3.170
 CID2   Fr= 1--       5.448                  1.719                  0.024
 Raman3 Fr= 1--     467.743                126.451                263.523
 ROA3   Fr= 1--    8224.424                248.449               -392.778
 CID3   Fr= 1--      17.583                  1.965                 -1.490
 RC180  Fr= 1--       0.713                  0.039                 -0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     62.2706               233.1887                85.1202
  Dep-P Fr= 1--      0.5230                 0.5102                 0.5634
  Dep-U Fr= 1--      0.6868                 0.6757                 0.7207
 Alpha2 Fr= 1--      0.2751                 1.0972                 0.3010
 Beta2  Fr= 1--      7.1276                26.2594                10.2248
 AlphaG Fr= 1--      1.2708                 5.4669                -1.5165
 Gamma2 Fr= 1--      0.7327               -43.2285                43.4783
 Delta2 Fr= 1--     29.0136                -0.5574                 0.2723
 Raman1 Fr= 1--     249.082                932.755                340.481
 ROA1   Fr= 1--     998.776              -4167.769               4182.628
 CID1   Fr= 1--       4.010                 -4.468                 12.284
 Raman2 Fr= 1--      85.531                315.113                122.698
 ROA2   Fr= 1--    -214.524              -1033.024               1041.300
 CID2   Fr= 1--      -2.508                 -3.278                  8.487
 Raman3 Fr= 1--     171.062                630.226                245.395
 ROA3   Fr= 1--     998.776              -4167.769               4182.628
 CID3   Fr= 1--       5.839                 -6.613                 17.044
 RC180  Fr= 1--       0.374                  0.351                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--    101.0994                21.2909                54.0128
  Dep-P Fr= 1--      0.5410                 0.7497                 0.7499
  Dep-U Fr= 1--      0.7021                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.4064                 0.0001                 0.0001
 Beta2  Fr= 1--     11.8304                 3.0408                 7.7156
 AlphaG Fr= 1--     -1.8116                 0.0067                 0.0124
 Gamma2 Fr= 1--     19.9201                47.2163               -15.7030
 Delta2 Fr= 1--    -15.1325                 8.3682               -11.4719
 Raman1 Fr= 1--     404.398                 85.163                216.051
 ROA1   Fr= 1--    1428.089               4800.551              -1874.593
 CID1   Fr= 1--       3.531                 56.369                 -8.677
 Raman2 Fr= 1--     141.965                 36.490                 92.587
 ROA2   Fr= 1--     599.142               1066.246               -285.097
 CID2   Fr= 1--       4.220                 29.220                 -3.079
 Raman3 Fr= 1--     283.929                 72.980                185.173
 ROA3   Fr= 1--    1428.089               4800.551              -1874.593
 CID3   Fr= 1--       5.030                 65.779                -10.123
 RC180  Fr= 1--       0.404                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     12.6363               455.3647               180.2862
  Dep-P Fr= 1--      0.7349                 0.5936                 0.2222
  Dep-U Fr= 1--      0.8472                 0.7449                 0.3637
 Alpha2 Fr= 1--      0.0032                 1.3246                 2.3066
 Beta2  Fr= 1--      1.7843                56.5370                10.9273
 AlphaG Fr= 1--      0.0029                 1.1110                 3.7543
 Gamma2 Fr= 1--     46.4680               -82.5835                64.7012
 Delta2 Fr= 1--     25.4787               -70.5021                 3.6561
 Raman1 Fr= 1--      50.545               1821.459                721.145
 ROA1   Fr= 1--    5276.245             -10184.085               6328.314
 CID1   Fr= 1--     104.387                 -5.591                  8.775
 Raman2 Fr= 1--      21.412                678.445                131.128
 ROA2   Fr= 1--     911.402              -1417.987               1523.581
 CID2   Fr= 1--      42.566                 -2.090                 11.619
 Raman3 Fr= 1--      42.823               1356.889                262.256
 ROA3   Fr= 1--    5276.245             -10184.085               6328.314
 CID3   Fr= 1--     123.210                 -7.505                 24.130
 RC180  Fr= 1--       0.694                  0.490                 -0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    568.6415               110.9070               109.2613
  Dep-P Fr= 1--      0.2137                 0.5256                 0.4115
  Dep-U Fr= 1--      0.3522                 0.6890                 0.5830
 Alpha2 Fr= 1--      7.4444                 0.4835                 0.7765
 Beta2  Fr= 1--     33.3776                12.7358                10.6172
 AlphaG Fr= 1--     12.1118                 0.7308                 1.1789
 Gamma2 Fr= 1--      8.5149                41.9887                23.8056
 Delta2 Fr= 1--    -15.2245                -2.5696                 6.3687
 Raman1 Fr= 1--    2274.566                443.628                437.045
 ROA1   Fr= 1--     330.243               3948.683               2489.139
 CID1   Fr= 1--       0.145                  8.901                  5.695
 Raman2 Fr= 1--     400.531                152.830                127.406
 ROA2   Fr= 1--     326.152               1028.285                520.385
 CID2   Fr= 1--       0.814                  6.728                  4.084
 Raman3 Fr= 1--     801.062                305.659                254.813
 ROA3   Fr= 1--     330.243               3948.683               2489.139
 CID3   Fr= 1--       0.412                 12.919                  9.769
 RC180  Fr= 1--      -0.296                  0.378                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.742648D+03  0.408928D+02 -0.448472D-01
      2   0.408928D+02  0.358835D+03 -0.232349D-02
      3  -0.448472D-01 -0.232349D-02  0.264345D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106658D+03  0.226393D+02  0.578173D-01
      2  -0.284061D+02  0.386511D+02  0.311791D-01
      3   0.692380D+00 -0.525728D-02 -0.126427D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256087D+00  0.301334D-01 -0.350685D+01
      2  -0.212239D+00  0.146947D-01 -0.115545D+03
      3  -0.438471D-01 -0.448281D-01  0.119051D+03
      4  -0.203816D+00 -0.619366D-01  0.870884D+02
      5   0.182482D+03  0.988025D+02  0.401962D-01
      6   0.145704D+03  0.490818D+02 -0.135124D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.804138D+01  0.289459D+00  0.183179D+01  0.722133D+01  0.230142D+01
      2   0.289459D+00  0.919356D+00  0.576330D+00  0.230142D+01 -0.845493D+00
      3   0.183179D+01  0.576330D+00  0.177067D+01 -0.839961D+00  0.597911D+00
                 6             7             8             9            10 
      1  -0.839961D+00 -0.124652D+02 -0.146832D+01  0.253522D+01 -0.458133D+02
      2   0.597911D+00 -0.146832D+01 -0.709904D+00  0.329003D+01 -0.189751D+01
      3   0.334844D+01  0.253522D+01  0.329003D+01  0.811569D+00 -0.296536D+00
                11            12            13            14            15 
      1  -0.189751D+01 -0.296536D+00  0.329992D+02 -0.111609D+01 -0.152642D+01
      2  -0.365392D+01  0.654398D+00 -0.111609D+01  0.470666D-01 -0.216135D+01
      3   0.654398D+00 -0.189796D+01 -0.152642D+01 -0.216135D+01 -0.426551D+01
                16            17            18            19            20 
      1  -0.211361D+01  0.709087D+00 -0.532656D+01  0.232974D+03  0.120383D+02
      2   0.709087D+00 -0.534369D+00 -0.252473D+01  0.120383D+02  0.101777D+02
      3  -0.532656D+01 -0.252473D+01  0.103377D+00 -0.334794D+00  0.179297D+01
                21            22            23            24            25 
      1  -0.334794D+00  0.103364D+03  0.303474D+02 -0.617499D+01  0.482843D+02
      2   0.179297D+01  0.303474D+02  0.921404D+01  0.181781D+01  0.646483D+01
      3   0.107244D+01 -0.617499D+01  0.181781D+01  0.124506D+01  0.140183D+01
                26            27            28            29            30 
      1   0.646483D+01  0.140183D+01 -0.595472D+03 -0.219239D+02 -0.126917D+02
      2   0.146809D+01  0.155921D+01 -0.219239D+02  0.226472D+01  0.392897D+00
      3   0.155921D+01  0.940893D+00 -0.126917D+02  0.392897D+00  0.166531D+00
                31            32            33            34            35 
      1   0.127015D+03 -0.235936D+02 -0.219653D+01  0.649543D+02 -0.381806D+01
      2  -0.235936D+02  0.620323D+01 -0.149282D+00 -0.381806D+01  0.652924D+00
      3  -0.219653D+01 -0.149282D+00  0.133389D+01  0.397339D+01  0.297790D+01
                36            37            38            39            40 
      1   0.397339D+01  0.254445D+03  0.245221D+02 -0.222591D+01  0.156139D+03
      2   0.297790D+01  0.245221D+02  0.171409D+01  0.148483D+01  0.278308D+02
      3   0.138227D+01 -0.222591D+01  0.148483D+01 -0.305970D+01  0.348685D+01
                41            42            43            44            45 
      1   0.278308D+02  0.348685D+01 -0.797487D+02  0.468628D+01 -0.411369D+01
      2   0.229833D+01 -0.175492D+01  0.468628D+01  0.621727D+00 -0.141695D+01
      3  -0.175492D+01  0.206647D+01 -0.411369D+01 -0.141695D+01  0.210311D+01
                46            47            48            49            50 
      1  -0.103897D+02 -0.776214D+01  0.198244D+01 -0.223304D+02 -0.107776D+02
      2  -0.776214D+01 -0.431308D+01 -0.260266D-01 -0.107776D+02 -0.126001D+01
      3   0.198244D+01 -0.260266D-01  0.306867D+01  0.239014D+01  0.269370D+01
                51            52            53            54            55 
      1   0.239014D+01 -0.806161D+01 -0.484140D+01  0.459530D+01 -0.818281D+01
      2   0.269370D+01 -0.484140D+01 -0.638878D+00 -0.371359D+00 -0.754734D+01
      3  -0.992327D+00  0.459530D+01 -0.371359D+00 -0.123096D+01  0.237517D+01
                56            57            58            59            60 
      1  -0.754734D+01  0.237517D+01 -0.747453D+02 -0.786307D+01 -0.171113D+01
      2  -0.885063D-01 -0.149841D+01 -0.786307D+01  0.388505D+00  0.293269D+01
      3  -0.149841D+01  0.424768D+01 -0.171113D+01  0.293269D+01  0.283254D+01
                61            62            63            64            65 
      1   0.380840D+02  0.175890D+01  0.665477D+01  0.103785D+04  0.416565D+02
      2   0.175890D+01  0.369061D+01  0.255087D+01  0.416565D+02 -0.134956D+01
      3   0.665477D+01  0.255087D+01 -0.944611D+00  0.490464D+01 -0.165560D+01
                66            67            68            69            70 
      1   0.490464D+01  0.112720D+03  0.227147D+02  0.261793D+02  0.200430D+03
      2  -0.165560D+01  0.227147D+02  0.735665D+01  0.216276D+01  0.789573D+01
      3   0.161202D+01  0.261793D+02  0.216276D+01  0.101642D+01  0.621474D+01
                71            72            73            74            75 
      1   0.789573D+01  0.621474D+01  0.185228D+00  0.335059D-01 -0.194546D+01
      2   0.384564D+00  0.140374D+01  0.335059D-01  0.121261D-02  0.579336D+00
      3   0.140374D+01  0.647953D-01 -0.194546D+01  0.579336D+00  0.183895D-02
                76            77            78            79            80 
      1  -0.274903D+01  0.275712D-01 -0.674561D+02 -0.177133D+03 -0.172216D+02
      2   0.275712D-01  0.632789D-02 -0.502667D+00 -0.172216D+02 -0.429949D+00
      3  -0.674561D+02 -0.502667D+00  0.273012D-01  0.414253D-01  0.375337D-02
                81            82            83            84            85 
      1   0.414253D-01  0.895595D+03  0.130660D+02 -0.621020D+01 -0.273146D+03
      2   0.375337D-02  0.130660D+02 -0.940425D+00 -0.148979D+01  0.725638D+01
      3  -0.315957D+00 -0.621020D+01 -0.148979D+01  0.136569D+01  0.202774D+02
                86            87            88            89            90 
      1   0.725638D+01  0.202774D+02 -0.109952D+03  0.595745D+00  0.406414D+01
      2  -0.464103D+01 -0.101166D+01  0.595745D+00  0.481613D-01 -0.134676D+01
      3  -0.101166D+01 -0.437250D+00  0.406414D+01 -0.134676D+01  0.590781D-01
                91            92            93            94            95 
      1  -0.629523D+03 -0.243361D+02  0.167786D+02 -0.205290D+03 -0.403171D+02
      2  -0.243361D+02 -0.384923D+01 -0.189438D+00 -0.403171D+02 -0.219341D+02
      3   0.167786D+02 -0.189438D+00 -0.523815D+00 -0.538136D+01 -0.310612D+01
                96            97            98            99           100 
      1  -0.538136D+01 -0.776628D+02 -0.580663D+01 -0.950537D+00  0.830914D+02
      2  -0.310612D+01 -0.580663D+01 -0.260472D+01 -0.440718D+01 -0.128668D+02
      3  -0.369548D+01 -0.950537D+00 -0.440718D+01 -0.216404D+01  0.139943D+01
               101           102           103           104           105 
      1  -0.128668D+02  0.139943D+01 -0.587334D+02  0.260510D+02  0.503461D+01
      2  -0.431790D+01 -0.840818D+00  0.260510D+02  0.372792D+01  0.138627D+01
      3  -0.840818D+00 -0.123901D+01  0.503461D+01  0.138627D+01 -0.373949D+00
               106           107           108           109           110 
      1   0.207853D+02  0.310843D+01  0.656575D+00  0.137262D+02  0.318113D+01
      2   0.310843D+01 -0.138477D+01  0.114980D+01  0.318113D+01  0.435712D+01
      3   0.656575D+00  0.114980D+01 -0.351237D+00  0.179000D+01  0.220420D+00
               111           112           113           114           115 
      1   0.179000D+01 -0.174402D+02 -0.204264D+01 -0.161515D+01  0.125444D+02
      2   0.220420D+00 -0.204264D+01 -0.462926D+01  0.883649D+00  0.268523D+01
      3   0.109223D+01 -0.161515D+01  0.883649D+00 -0.680022D+00  0.247430D+01
               116           117           118           119           120 
      1   0.268523D+01  0.247430D+01 -0.392363D+02 -0.765816D+01  0.730596D+00
      2   0.484988D+01 -0.146341D+01 -0.765816D+01 -0.154909D+01 -0.141711D+01
      3  -0.146341D+01  0.388259D+01  0.730596D+00 -0.141711D+01  0.322546D+01
               121           122           123           124           125 
      1  -0.152122D+02 -0.352296D+01 -0.177203D+01  0.419112D+01 -0.139293D+01
      2  -0.352296D+01 -0.107430D+01  0.151851D+01 -0.139293D+01  0.142968D+01
      3  -0.177203D+01  0.151851D+01 -0.646351D+00  0.185005D+01 -0.887304D+00
               126           127           128           129           130 
      1   0.185005D+01 -0.140342D+01  0.470610D+01 -0.133165D+01  0.389919D+02
      2  -0.887304D+00  0.470610D+01 -0.448163D+00  0.160442D+01  0.159227D+01
      3  -0.362414D+01 -0.133165D+01  0.160442D+01 -0.255662D+01  0.192436D+01
               131           132           133           134           135 
      1   0.159227D+01  0.192436D+01 -0.806417D+01 -0.133985D+00 -0.420048D+01
      2  -0.176892D+01 -0.291687D+01 -0.133985D+00 -0.322775D+01 -0.302569D+01
      3  -0.291687D+01 -0.262942D+01 -0.420048D+01 -0.302569D+01  0.138714D+01
               136           137           138           139           140 
      1  -0.289427D+01  0.422246D+01 -0.122841D+01  0.300120D+01 -0.222664D+01
      2   0.422246D+01 -0.517928D+00  0.187108D+01 -0.222664D+01 -0.109086D+01
      3  -0.122841D+01  0.187108D+01 -0.213544D+01  0.142297D+01 -0.407380D+01
               141           142           143           144           145 
      1   0.142297D+01  0.183719D+01  0.182124D+01 -0.319231D+01 -0.103760D+04
      2  -0.407380D+01  0.182124D+01 -0.300595D+01 -0.210721D+01 -0.417932D+02
      3  -0.210047D+01 -0.319231D+01 -0.210721D+01  0.468328D+00  0.507840D+01
               146           147           148           149           150 
      1  -0.417932D+02  0.507840D+01 -0.110703D+03 -0.226788D+02  0.262091D+02
      2   0.134571D+01 -0.164765D+01 -0.226788D+02 -0.735679D+01  0.217349D+01
      3  -0.164765D+01 -0.161547D+01  0.262091D+02  0.217349D+01 -0.103477D+01
               151           152           153           154           155 
      1   0.201080D+03  0.794106D+01 -0.627879D+01  0.594810D+03  0.220476D+02
      2   0.794106D+01  0.391837D+00 -0.140659D+01  0.220476D+02 -0.225943D+01
      3  -0.627879D+01 -0.140659D+01  0.770209D-01 -0.128779D+02  0.392900D+00
               156           157           158           159           160 
      1  -0.128779D+02 -0.125971D+03  0.235708D+02 -0.224944D+01  0.653798D+02
      2   0.392900D+00  0.235708D+02 -0.621151D+01 -0.161429D+00 -0.379177D+01
      3  -0.156080D+00 -0.224944D+01 -0.161429D+00 -0.133414D+01 -0.397767D+01
               161           162           163           164           165 
      1  -0.379177D+01 -0.397767D+01 -0.254775D+03 -0.245610D+02 -0.216688D+01
      2   0.661808D+00 -0.297897D+01 -0.245610D+02 -0.171569D+01  0.149065D+01
      3  -0.297897D+01  0.138783D+01 -0.216688D+01  0.149065D+01  0.305284D+01
               166           167           168           169           170 
      1  -0.156724D+03 -0.278917D+02  0.352417D+01 -0.801695D+02  0.466257D+01
      2  -0.278917D+02 -0.229815D+01 -0.174667D+01  0.466257D+01  0.630864D+00
      3   0.352417D+01 -0.174667D+01 -0.205662D+01  0.411140D+01  0.142444D+01
               171           172           173           174           175 
      1   0.411140D+01  0.816978D+01  0.755745D+01  0.238775D+01  0.749913D+02
      2   0.142444D+01  0.755745D+01  0.894091D-01 -0.149170D+01  0.788253D+01
      3   0.212062D+01  0.238775D+01 -0.149170D+01 -0.423711D+01 -0.171161D+01
               176           177           178           179           180 
      1   0.788253D+01 -0.171161D+01  0.380841D+02  0.176328D+01 -0.664715D+01
      2  -0.388839D+00  0.292694D+01  0.176328D+01  0.368676D+01 -0.255958D+01
      3   0.292694D+01 -0.284632D+01 -0.664715D+01 -0.255958D+01 -0.960553D+00
               181           182           183           184           185 
      1   0.458905D+02  0.188164D+01 -0.314892D+00 -0.333923D+02  0.111005D+01
      2   0.188164D+01  0.365433D+01  0.651600D+00  0.111005D+01 -0.403742D-01
      3  -0.314892D+00  0.651600D+00  0.189254D+01 -0.152469D+01 -0.215133D+01
               186           187           188           189           190 
      1  -0.152469D+01 -0.217074D+01  0.718385D+00  0.532892D+01 -0.233104D+03
      2  -0.215133D+01  0.718385D+00 -0.527489D+00  0.252746D+01 -0.119979D+02
      3   0.427177D+01  0.532892D+01  0.252746D+01  0.111434D+00 -0.250601D+00
               191           192           193           194           195 
      1  -0.119979D+02 -0.250601D+00 -0.104430D+03 -0.302962D+02 -0.612928D+01
      2  -0.101817D+02  0.179228D+01 -0.302962D+02 -0.921964D+01  0.183025D+01
      3   0.179228D+01 -0.107239D+01 -0.612928D+01  0.183025D+01 -0.124112D+01
               196           197           198           199           200 
      1   0.488729D+02  0.647686D+01 -0.140965D+01  0.793335D+01 -0.277013D+00
      2   0.647686D+01  0.145607D+01 -0.155893D+01 -0.277013D+00 -0.916991D+00
      3  -0.140965D+01 -0.155893D+01  0.938754D+00  0.185596D+01  0.582597D+00
               201           202           203           204           205 
      1   0.185596D+01 -0.723654D+01 -0.230442D+01 -0.832635D+00 -0.124419D+02
      2   0.582597D+00 -0.230442D+01  0.841878D+00  0.592933D+00 -0.146870D+01
      3  -0.176489D+01 -0.832635D+00  0.592933D+00 -0.334772D+01 -0.252863D+01
               206           207           208           209           210 
      1  -0.146870D+01 -0.252863D+01  0.104056D+02  0.777550D+01  0.198532D+01
      2  -0.715211D+00 -0.328959D+01  0.777550D+01  0.432113D+01 -0.246511D-01
      3  -0.328959D+01  0.805709D+00  0.198532D+01 -0.246511D-01 -0.306048D+01
               211           212           213           214           215 
      1   0.224107D+02  0.108018D+02  0.238628D+01 -0.815720D+01 -0.484782D+01
      2   0.108018D+02  0.127251D+01  0.269858D+01 -0.484782D+01 -0.636535D+00
      3   0.238628D+01  0.269858D+01  0.987326D+00 -0.458554D+01  0.365581D+00
               216           217           218           219           220 
      1  -0.458554D+01  0.290153D+01 -0.422265D+01 -0.124233D+01 -0.303171D+01
      2   0.365581D+00 -0.422265D+01  0.530273D+00  0.185845D+01  0.224044D+01
      3  -0.124711D+01 -0.124233D+01  0.185845D+01  0.212870D+01  0.140508D+01
               221           222           223           224           225 
      1   0.224044D+01  0.140508D+01  0.188610D+01  0.180782D+01  0.318387D+01
      2   0.107870D+01 -0.407418D+01  0.180782D+01 -0.300411D+01  0.212055D+01
      3  -0.407418D+01  0.211593D+01  0.318387D+01  0.212055D+01  0.473087D+00
               226           227           228           229           230 
      1   0.146521D+01 -0.470835D+01 -0.134433D+01 -0.391433D+02 -0.160305D+01
      2  -0.470835D+01  0.447523D+00  0.159694D+01 -0.160305D+01  0.176865D+01
      3  -0.134433D+01  0.159694D+01  0.254851D+01  0.192003D+01 -0.290915D+01
               231           232           233           234           235 
      1   0.192003D+01 -0.808159D+01 -0.145881D+00  0.418922D+01  0.393109D+02
      2  -0.290915D+01 -0.145881D+00 -0.322343D+01  0.303621D+01  0.766715D+01
      3   0.264139D+01  0.418922D+01  0.303621D+01  0.139708D+01  0.730334D+00
               236           237           238           239           240 
      1   0.766715D+01  0.730334D+00  0.152284D+02  0.353106D+01 -0.177103D+01
      2   0.155307D+01 -0.141477D+01  0.353106D+01  0.107822D+01  0.151632D+01
      3  -0.141477D+01 -0.321827D+01 -0.177103D+01  0.151632D+01  0.635869D+00
               241           242           243           244           245 
      1   0.430238D+01 -0.138665D+01 -0.184370D+01  0.631580D+03  0.243352D+02
      2  -0.138665D+01  0.142696D+01  0.878395D+00  0.243352D+02  0.383316D+01
      3  -0.184370D+01  0.878395D+00 -0.364053D+01  0.165592D+02 -0.203163D+00
               246           247           248           249           250 
      1   0.165592D+02  0.205739D+03  0.402719D+02 -0.535595D+01 -0.772681D+02
      2  -0.203163D+00  0.402719D+02  0.219465D+02 -0.311750D+01 -0.583261D+01
      3   0.510874D+00 -0.535595D+01 -0.311750D+01  0.369726D+01  0.945121D+00
               251           252           253           254           255 
      1  -0.583261D+01  0.945121D+00 -0.828573D+02  0.128373D+02  0.141835D+01
      2  -0.260060D+01  0.441126D+01  0.128373D+02  0.432300D+01 -0.843541D+00
      3   0.441126D+01 -0.216138D+01  0.141835D+01 -0.843541D+00  0.123812D+01
               256           257           258           259           260 
      1   0.588713D+02 -0.259642D+02  0.500520D+01  0.203921D+02  0.312643D+01
      2  -0.259642D+02 -0.373286D+01  0.139031D+01  0.312643D+01 -0.137896D+01
      3   0.500520D+01  0.139031D+01  0.372500D+00 -0.655807D+00 -0.115125D+01
               261           262           263           264           265 
      1  -0.655807D+00 -0.137457D+02 -0.316631D+01  0.178603D+01  0.173470D+02
      2  -0.115125D+01 -0.316631D+01 -0.436287D+01  0.221109D+00  0.202373D+01
      3  -0.347890D+00  0.178603D+01  0.221109D+00 -0.109290D+01 -0.161069D+01
               266           267           268           269           270 
      1   0.202373D+01 -0.161069D+01  0.126086D+02  0.266925D+01 -0.247038D+01
      2   0.462955D+01  0.882883D+00  0.266925D+01  0.484889D+01  0.146269D+01
      3   0.882883D+00  0.680273D+00 -0.247038D+01  0.146269D+01  0.388134D+01
               271           272           273           274           275 
      1  -0.896932D+03 -0.131248D+02 -0.604677D+01  0.274409D+03 -0.730219D+01
      2  -0.131248D+02  0.950963D+00 -0.147543D+01 -0.730219D+01  0.464227D+01
      3  -0.604677D+01 -0.147543D+01 -0.136208D+01  0.202108D+02 -0.101005D+01
               276           277           278           279           280 
      1   0.202108D+02 -0.109477D+03  0.608448D+00 -0.403023D+01 -0.143482D+02
      2  -0.101005D+01  0.608448D+00  0.457558D-01  0.134699D+01 -0.449727D+01
      3   0.422292D+00 -0.403023D+01  0.134699D+01  0.662850D-01 -0.323082D+01
               281           282           283           284           285 
      1  -0.449727D+01 -0.323082D+01  0.763605D+01  0.839185D+00  0.426983D+00
      2  -0.486976D+01  0.135316D+01  0.839185D+00  0.182063D+01 -0.130492D+01
      3   0.135316D+01 -0.166889D+01  0.426983D+00 -0.130492D+01  0.153132D+00
               286           287           288           289           290 
      1  -0.174179D+02 -0.328656D+01 -0.395132D+01 -0.144249D+02  0.453643D+00
      2  -0.328656D+01 -0.294076D+01  0.166843D+01  0.453643D+00  0.182677D+01
      3  -0.395132D+01  0.166843D+01 -0.379773D+01 -0.165290D+01 -0.378630D+00
               291           292           293           294           295 
      1  -0.165290D+01 -0.253871D+02  0.126206D+01 -0.120103D+01  0.450935D+01
      2  -0.378630D+00  0.126206D+01  0.612778D+01 -0.118629D+01 -0.233576D-01
      3   0.812499D+00 -0.120103D+01 -0.118629D+01  0.724411D+00  0.412447D+00
               296           297           298           299           300 
      1  -0.233576D-01  0.412447D+00  0.142649D+02 -0.457130D+00 -0.166137D+01
      2  -0.666682D+00  0.156559D+01 -0.457130D+00 -0.182682D+01 -0.379911D+00
      3   0.156559D+01 -0.945354D+00 -0.166137D+01 -0.379911D+00 -0.811955D+00
               301           302           303           304           305 
      1   0.252195D+02 -0.128252D+01 -0.121120D+01  0.445307D+01 -0.251828D-01
      2  -0.128252D+01 -0.612442D+01 -0.118764D+01 -0.251828D-01 -0.666541D+00
      3  -0.121120D+01 -0.118764D+01 -0.723697D+00 -0.414923D+00 -0.156554D+01
               306           307           308           309           310 
      1  -0.414923D+00  0.141508D+02  0.451954D+01 -0.322713D+01 -0.759474D+01
      2  -0.156554D+01  0.451954D+01  0.487033D+01  0.135280D+01 -0.856886D+00
      3  -0.946314D+00 -0.322713D+01  0.135280D+01  0.167014D+01  0.427011D+00
               311           312           313           314           315 
      1  -0.856886D+00  0.427011D+00 -0.172671D+02 -0.329533D+01  0.394968D+01
      2  -0.182405D+01 -0.130527D+01 -0.329533D+01 -0.293850D+01 -0.166756D+01
      3  -0.130527D+01 -0.154539D+00  0.394968D+01 -0.166756D+01 -0.379687D+01
               316           317           318           319           320 
      1  -0.113320D+02 -0.451375D+01 -0.205227D+01 -0.107067D+02 -0.774942D+01
      2  -0.451375D+01 -0.446237D+01 -0.104476D+01 -0.774942D+01 -0.684783D+01
      3  -0.205227D+01 -0.104476D+01 -0.131895D+01 -0.281723D+01 -0.222780D+01
               321           322           323           324           325 
      1  -0.281723D+01  0.384371D+01  0.140937D+01 -0.774080D+00  0.132339D+01
      2  -0.222780D+01  0.140937D+01 -0.669661D+00 -0.945840D+00 -0.946491D+00
      3  -0.179714D+01 -0.774080D+00 -0.945840D+00 -0.700322D+00 -0.755407D+00
               326           327           328           329           330 
      1  -0.946491D+00 -0.755407D+00 -0.294104D+01 -0.100778D+01 -0.256202D+00
      2   0.113994D+01  0.142074D+01 -0.100778D+01 -0.157527D+01 -0.140718D+01
      3   0.142074D+01  0.365649D+01 -0.256202D+00 -0.140718D+01 -0.115901D+01
               331           332           333           334           335 
      1   0.370635D+01  0.334628D-02 -0.448584D-01 -0.210718D+02 -0.862897D+00
      2   0.334628D-02 -0.155599D+01 -0.194542D+01 -0.862897D+00 -0.115546D+01
      3  -0.448584D-01 -0.194542D+01 -0.487965D+01 -0.464459D+01 -0.512904D-01
               336           337           338           339           340 
      1  -0.464459D+01 -0.385965D+01 -0.220951D+01 -0.146408D+00 -0.377558D+01
      2  -0.512904D-01 -0.220951D+01  0.125124D+00 -0.520984D+00 -0.605289D+00
      3  -0.250095D+01 -0.146408D+00 -0.520984D+00  0.951227D-01 -0.230109D+01
               341           342           343           344           345 
      1  -0.605289D+00 -0.230109D+01  0.582939D-02  0.429513D+00 -0.635123D+00
      2   0.729986D-01  0.390387D-01  0.429513D+00  0.721150D+00 -0.663716D+00
      3   0.390387D-01 -0.110406D+01 -0.635123D+00 -0.663716D+00  0.203305D+01
               346           347           348           349           350 
      1  -0.986134D+00 -0.361456D+00  0.817392D+00  0.626285D+00  0.112901D+01
      2  -0.361456D+00  0.162792D+01 -0.181239D+01  0.112901D+01 -0.159928D+01
      3   0.817392D+00 -0.181239D+01  0.316018D+01 -0.126195D+01  0.225292D+01
               351           352           353           354           355 
      1  -0.126195D+01 -0.518900D+01  0.441309D+01  0.119481D+01  0.957945D+01
      2   0.225292D+01  0.441309D+01 -0.206449D+01 -0.315387D+00 -0.390289D+01
      3  -0.627141D+01  0.119481D+01 -0.315387D+00 -0.969135D+00 -0.206088D+00
               356           357           358           359           360 
      1  -0.390289D+01 -0.206088D+00  0.274461D+01 -0.971229D+00 -0.209348D+01
      2   0.500581D+01  0.453079D+00 -0.971229D+00  0.673887D+00  0.723919D+00
      3   0.453079D+00  0.617562D+00 -0.209348D+01  0.723919D+00  0.523587D+00
               361           362           363           364           365 
      1   0.280044D+01  0.168763D+01 -0.905730D+00  0.465750D+00  0.737833D+00
      2   0.168763D+01  0.139505D+01 -0.386540D+00  0.737833D+00  0.719886D+00
      3  -0.905730D+00 -0.386540D+00  0.284976D+01 -0.397344D+00  0.682247D+00
               366           367           368           369           370 
      1  -0.397344D+00 -0.351586D+01 -0.908724D+00  0.147731D+01 -0.248332D+01
      2   0.682247D+00 -0.908724D+00  0.275507D+00  0.632056D+00 -0.483842D+00
      3   0.994058D+00  0.147731D+01  0.632056D+00 -0.109568D+00  0.854552D+00
               371           372           373           374           375 
      1  -0.483842D+00  0.854552D+00 -0.192068D+01 -0.164709D+01  0.181505D+01
      2  -0.143519D+00 -0.141104D+00 -0.164709D+01 -0.347494D+01  0.302179D+01
      3  -0.141104D+00 -0.392775D+00  0.181505D+01  0.302179D+01 -0.485800D+01
               376           377           378           379           380 
      1   0.201644D+01  0.114363D+01 -0.210103D+01 -0.631764D+01  0.224481D+01
      2   0.114363D+01  0.221505D+01 -0.258685D+01  0.224481D+01 -0.168390D+01
      3  -0.210103D+01 -0.258685D+01  0.518392D+01  0.325638D+01 -0.136976D+01
               381           382           383           384           385 
      1   0.325638D+01  0.182572D+01 -0.291282D+01 -0.287794D+01  0.101419D+01
      2  -0.136976D+01 -0.291282D+01  0.249027D+01  0.237970D+01 -0.149166D+01
      3  -0.314476D+01 -0.287794D+01  0.237970D+01  0.294227D+01 -0.286057D+01
               386           387           388           389           390 
      1  -0.149166D+01 -0.286057D+01 -0.403108D+01 -0.992870D+00 -0.180146D+01
      2   0.143548D+01  0.115657D+01 -0.992870D+00 -0.963381D+00 -0.772524D+00
      3   0.115657D+01  0.311816D+01 -0.180146D+01 -0.772524D+00 -0.147044D+01
               391           392           393           394           395 
      1  -0.597156D+00 -0.144576D+01 -0.885860D+00 -0.502002D+01 -0.165692D+01
      2  -0.144576D+01 -0.140494D+01 -0.519569D+00 -0.165692D+01 -0.118640D+01
      3  -0.885860D+00 -0.519569D+00 -0.124854D+01 -0.184940D+01 -0.116910D+01
               396           397           398           399           400 
      1  -0.184940D+01 -0.288699D+01  0.349054D+01  0.267575D+01  0.130424D+02
      2  -0.116910D+01  0.349054D+01 -0.124044D+01 -0.616665D+00 -0.211979D+01
      3  -0.383914D+01  0.267575D+01 -0.616665D+00 -0.162318D+01 -0.268712D+01
               401           402           403           404           405 
      1  -0.211979D+01 -0.268712D+01  0.577255D+01 -0.816738D+00 -0.302518D+01
      2   0.174330D+01  0.103778D+01 -0.816738D+00  0.965830D+00  0.229016D+00
      3   0.103778D+01  0.135750D+01 -0.302518D+01  0.229016D+00  0.150304D+01
               406           407           408           409           410 
      1  -0.428920D+01 -0.101900D+01  0.833533D+00 -0.328639D+01 -0.369243D+01
      2  -0.101900D+01 -0.361713D+00  0.143583D+00 -0.369243D+01 -0.483505D+01
      3   0.833533D+00  0.143583D+00 -0.439739D+00  0.203829D+01  0.283580D+01
               411           412           413           414           415 
      1   0.203829D+01  0.496231D+01  0.226298D+01 -0.286249D+01 -0.425974D+01
      2   0.283580D+01  0.226298D+01  0.301647D+01 -0.257448D+01 -0.145820D+01
      3  -0.272282D+01 -0.286249D+01 -0.257448D+01  0.307065D+01 -0.957676D+00
               416           417           418           419           420 
      1  -0.145820D+01 -0.957676D+00 -0.158454D+01  0.102746D+00 -0.160297D+00
      2   0.335109D+01  0.793794D+00  0.102746D+00 -0.373309D+01 -0.122374D+01
      3   0.793794D+00  0.156406D+01 -0.160297D+00 -0.122374D+01 -0.794407D+00
               421           422           423           424           425 
      1  -0.115095D+01  0.647288D-03  0.603757D+00 -0.145610D+02 -0.616888D+01
      2   0.647288D-03 -0.310286D+01 -0.130592D+01 -0.616888D+01 -0.563730D+01
      3   0.603757D+00 -0.130592D+01 -0.126224D+01  0.958701D+00  0.874090D+00
               426           427           428           429           430 
      1   0.958701D+00  0.590886D+01 -0.389072D+01  0.800190D+00 -0.359403D+01
      2   0.874090D+00 -0.389072D+01 -0.581600D+01  0.543979D+00 -0.810065D-01
      3  -0.794138D+00  0.800190D+00  0.543979D+00 -0.812614D+00 -0.863430D+00
               431           432           433           434           435 
      1  -0.810065D-01 -0.863430D+00 -0.791046D+00 -0.786293D+00  0.319060D+00
      2  -0.185570D+00 -0.902905D+00 -0.786293D+00  0.105115D+01 -0.612369D+00
      3  -0.902905D+00  0.586800D+00  0.319060D+00 -0.612369D+00  0.223033D+01
               436           437           438           439           440 
      1   0.972869D+00  0.149693D+00 -0.743837D-02 -0.155483D+00  0.233093D+00
      2   0.149693D+00 -0.326311D-01  0.666109D+00  0.233093D+00  0.240922D+01
      3  -0.743837D-02  0.666109D+00 -0.231010D+00  0.403951D-01 -0.207365D+01
               441           442           443           444           445 
      1   0.403951D-01  0.244750D+01  0.481494D+00  0.847216D+00  0.191226D+01
      2  -0.207365D+01  0.481494D+00  0.135351D+00 -0.147587D+00  0.164207D+01
      3   0.619333D+01  0.847216D+00 -0.147587D+00  0.381942D+00  0.180674D+01
               446           447           448           449           450 
      1   0.164207D+01  0.180674D+01  0.200071D+01  0.113817D+01  0.208965D+01
      2   0.348179D+01  0.302210D+01  0.113817D+01  0.221384D+01  0.258330D+01
      3   0.302210D+01  0.485544D+01  0.208965D+01  0.258330D+01  0.517313D+01
               451           452           453           454           455 
      1  -0.284009D+01 -0.168824D+01 -0.912165D+00 -0.444643D+00 -0.740747D+00
      2  -0.168824D+01 -0.139645D+01 -0.390083D+00 -0.740747D+00 -0.720390D+00
      3  -0.912165D+00 -0.390083D+00 -0.284486D+01 -0.402498D+00  0.680662D+00
               456           457           458           459           460 
      1  -0.402498D+00 -0.352265D+01 -0.915515D+00 -0.148050D+01  0.633519D+01
      2   0.680662D+00 -0.915515D+00  0.274485D+00 -0.633893D+00 -0.223723D+01
      3  -0.997263D+00 -0.148050D+01 -0.633893D+00 -0.118358D+00  0.325801D+01
               461           462           463           464           465 
      1  -0.223723D+01  0.325801D+01 -0.182553D+01  0.290492D+01 -0.287954D+01
      2   0.167899D+01 -0.137091D+01  0.290492D+01 -0.248212D+01  0.237948D+01
      3  -0.137091D+01  0.315157D+01 -0.287954D+01  0.237948D+01 -0.294683D+01
               466           467           468           469           470 
      1   0.103543D+01 -0.149294D+01  0.287154D+01  0.426697D+01  0.101857D+01
      2  -0.149294D+01  0.143781D+01 -0.116100D+01  0.101857D+01  0.360194D+00
      3   0.287154D+01 -0.116100D+01  0.313498D+01  0.830208D+00  0.141906D+00
               471           472           473           474           475 
      1   0.830208D+00  0.328762D+01  0.369300D+01  0.203951D+01  0.495733D+01
      2   0.141906D+00  0.369300D+01  0.483616D+01  0.283781D+01  0.226165D+01
      3   0.439104D+00  0.203951D+01  0.283781D+01  0.272391D+01  0.286325D+01
               476           477           478           479           480 
      1   0.226165D+01  0.286325D+01  0.289905D+01 -0.348780D+01  0.267988D+01
      2   0.301552D+01  0.257355D+01 -0.348780D+01  0.123920D+01 -0.619122D+00
      3   0.257355D+01  0.307178D+01  0.267988D+01 -0.619122D+00  0.162539D+01
               481           482           483           484           485 
      1  -0.130255D+02  0.212294D+01 -0.269569D+01  0.577653D+01 -0.822401D+00
      2   0.212294D+01 -0.174574D+01  0.104232D+01 -0.822401D+00  0.969194D+00
      3  -0.269569D+01  0.104232D+01 -0.136403D+01  0.303310D+01 -0.232636D+00
               486           487           488           489           490 
      1   0.303310D+01  0.404622D+01  0.994620D+00 -0.180438D+01  0.607079D+00
      2  -0.232636D+00  0.994620D+00  0.964724D+00 -0.772525D+00  0.144528D+01
      3   0.151176D+01 -0.180438D+01 -0.772525D+00  0.147480D+01 -0.885321D+00
               491           492           493           494           495 
      1   0.144528D+01 -0.885321D+00 -0.502786D+01 -0.165621D+01  0.185053D+01
      2   0.140160D+01 -0.516291D+00 -0.165621D+01 -0.118263D+01  0.116423D+01
      3  -0.516291D+00  0.124371D+01  0.185053D+01  0.116423D+01 -0.383398D+01
               496           497           498           499           500 
      1   0.210930D+02  0.856816D+00 -0.463278D+01  0.381507D+01  0.220958D+01
      2   0.856816D+00  0.115442D+01 -0.482982D-01  0.220958D+01 -0.126972D+00
      3  -0.463278D+01 -0.482982D-01  0.249428D+01 -0.145224D+00 -0.519915D+00
               501           502           503           504           505 
      1  -0.145224D+00 -0.371636D+01 -0.603852D+00  0.229342D+01 -0.213242D-03
      2  -0.519915D+00 -0.603852D+00  0.748307D-01 -0.404278D-01 -0.432205D+00
      3  -0.962543D-01  0.229342D+01 -0.404278D-01 -0.109631D+01 -0.632555D+00
               506           507           508           509           510 
      1  -0.432205D+00 -0.632555D+00  0.980558D+00  0.362730D+00  0.819201D+00
      2  -0.720213D+00 -0.662003D+00  0.362730D+00 -0.162988D+01 -0.181450D+01
      3  -0.662003D+00 -0.202899D+01  0.819201D+00 -0.181450D+01 -0.316083D+01
               511           512           513           514           515 
      1   0.598351D+00  0.113239D+01  0.126522D+01 -0.133861D+01  0.943766D+00
      2   0.113239D+01 -0.160160D+01 -0.225527D+01  0.943766D+00 -0.113852D+01
      3   0.126522D+01 -0.225527D+01 -0.627412D+01 -0.753897D+00  0.142053D+01
               516           517           518           519           520 
      1  -0.753897D+00  0.293990D+01  0.100696D+01 -0.257342D+00  0.371113D+01
      2   0.142053D+01  0.100696D+01  0.157458D+01 -0.140873D+01  0.451849D-02
      3  -0.365820D+01 -0.257342D+00 -0.140873D+01  0.116216D+01  0.478430D-01
               521           522           523           524           525 
      1   0.451849D-02  0.478430D-01  0.113509D+02  0.451790D+01 -0.205053D+01
      2  -0.155755D+01  0.194978D+01  0.451790D+01  0.446175D+01 -0.104358D+01
      3   0.194978D+01 -0.489389D+01 -0.205053D+01 -0.104358D+01  0.131826D+01
               526           527           528           529           530 
      1   0.106929D+02  0.774597D+01 -0.281537D+01  0.382013D+01  0.140648D+01
      2   0.774597D+01  0.683763D+01 -0.222371D+01  0.140648D+01 -0.664690D+00
      3  -0.281537D+01 -0.222371D+01  0.179580D+01  0.768398D+00  0.944123D+00
               531           532           533           534           535 
      1   0.768398D+00  0.525709D+01 -0.440739D+01  0.119644D+01 -0.955216D+01
      2   0.944123D+00 -0.440739D+01  0.206316D+01 -0.316802D+00  0.390381D+01
      3  -0.698498D+00  0.119644D+01 -0.316802D+00  0.968407D+00 -0.210693D+00
               536           537           538           539           540 
      1   0.390381D+01 -0.210693D+00  0.274475D+01 -0.973697D+00  0.209412D+01
      2  -0.500932D+01  0.456296D+00 -0.973697D+00  0.678957D+00 -0.726012D+00
      3   0.456296D+00 -0.619032D+00  0.209412D+01 -0.726012D+00  0.527203D+00
               541           542           543           544           545 
      1   0.145689D+02  0.617038D+01  0.959621D+00 -0.587615D+01  0.389011D+01
      2   0.617038D+01  0.563786D+01  0.874401D+00  0.389011D+01  0.580688D+01
      3   0.959621D+00  0.874401D+00  0.793788D+00  0.804988D+00  0.543935D+00
               546           547           548           549           550 
      1   0.804988D+00 -0.357444D+01 -0.756352D-01  0.865072D+00  0.422644D+01
      2   0.543935D+00 -0.756352D-01 -0.180857D+00  0.904444D+00  0.145849D+01
      3   0.812693D+00  0.865072D+00  0.904444D+00  0.586565D+00 -0.958612D+00
               551           552           553           554           555 
      1   0.145849D+01 -0.958612D+00  0.152590D+01 -0.100046D+00 -0.159501D+00
      2  -0.334781D+01  0.797938D+00 -0.100046D+00  0.374001D+01 -0.122952D+01
      3   0.797938D+00 -0.156546D+01 -0.159501D+00 -0.122952D+01  0.799296D+00
               556           557           558           559           560 
      1  -0.113435D+01  0.615933D-03 -0.604063D+00  0.765082D+00  0.784650D+00
      2   0.615933D-03 -0.311170D+01  0.131303D+01  0.784650D+00 -0.105721D+01
      3  -0.604063D+00  0.131303D+01 -0.127111D+01  0.319625D+00 -0.614482D+00
               561           562           563           564           565 
      1   0.319625D+00 -0.994968D+00 -0.152657D+00 -0.732087D-02 -0.170546D+00
      2  -0.614482D+00 -0.152657D+00  0.350794D-01  0.667330D+00  0.233168D+00
      3  -0.223405D+01 -0.732087D-02  0.667330D+00  0.235539D+00 -0.464990D-01
               566           567 
      1   0.233168D+00 -0.464990D-01
      2   0.241024D+01  0.207314D+01
      3   0.207314D+01  0.618011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.702639D+01 -0.625954D+01 -0.251555D+01  0.101067D+02  0.172584D+01
      2  -0.171247D+02  0.119221D+01  0.167191D+02 -0.473402D+01  0.527030D+01
      3   0.792712D+02 -0.294956D+01 -0.106982D+00  0.152206D+02 -0.432167D+01
                 6             7             8             9            10 
      1  -0.439307D+01 -0.122138D+02  0.504371D+01 -0.741792D+01 -0.255387D+02
      2   0.208995D+02  0.804823D+01  0.208158D+02  0.817591D+01  0.652042D+01
      3  -0.513935D+01 -0.105943D+02  0.906699D+01 -0.221427D+02 -0.892663D+02
                11            12            13            14            15 
      1   0.575812D+01  0.245860D+01  0.174252D+02  0.292647D+01 -0.508540D+01
      2   0.258143D+01 -0.594563D+01 -0.147062D+02 -0.123258D+02 -0.213058D+02
      3   0.398071D+02 -0.109142D+02  0.355805D+03  0.169194D+02  0.699863D+01
                16            17            18            19            20 
      1   0.268319D+02  0.406403D+01  0.620170D+01  0.928800D+02 -0.541971D+01
      2  -0.247618D+02 -0.160229D+02 -0.351684D+00 -0.275048D+01  0.607876D+01
      3  -0.313491D+02 -0.108301D+02  0.123000D+02  0.146828D+03 -0.119893D+03
                21            22            23            24            25 
      1  -0.163423D+00  0.192165D+02  0.528900D+01 -0.253340D+01  0.420513D+02
      2   0.358331D+01  0.122157D+02  0.548864D+01  0.898676D+01 -0.222566D+03
      3   0.319221D+02  0.102736D+04 -0.821787D+02  0.261078D+00  0.168697D+03
                26            27            28            29            30 
      1   0.126981D+02 -0.465352D+01 -0.221978D+03 -0.105743D+02 -0.492176D+01
      2  -0.396017D+01  0.636489D+01  0.331235D+02  0.844202D+01 -0.484575D+01
      3  -0.780475D+01 -0.157459D+02  0.588033D+03 -0.122315D+03 -0.425231D+02
                31            32            33            34            35 
      1   0.132192D+03 -0.152025D+02  0.759122D+01  0.111991D+03  0.722832D+01
      2   0.737435D+02  0.425126D+01 -0.379734D+01 -0.494617D+02  0.223154D+01
      3  -0.876473D+03 -0.280798D+02 -0.106844D+03  0.281134D+01 -0.204831D+02
                36            37            38            39            40 
      1  -0.365305D+01  0.866211D+02  0.553833D+01  0.251115D+01  0.390291D+02
      2  -0.843467D+00 -0.190874D+02  0.602314D+01 -0.591803D+01 -0.607098D+02
      3  -0.334843D+02  0.360285D+03  0.461174D+02 -0.224599D+02  0.363959D+03
                41            42            43            44            45 
      1   0.134219D+02 -0.104049D+02 -0.101546D+03  0.606934D+01  0.101164D+00
      2  -0.118086D+02  0.999576D+01  0.180791D+03  0.101046D+02  0.399981D+01
      3   0.636807D+02  0.237302D+02 -0.569501D+01  0.193576D+02 -0.304955D+01
                46            47            48            49            50 
      1   0.214542D+02  0.467665D+01 -0.934821D+01  0.171184D+02 -0.837691D+01
      2  -0.435830D+02 -0.119111D+02  0.207754D+02 -0.366847D+02  0.652252D+00
      3  -0.343493D+02 -0.119238D+02  0.370654D+01 -0.862143D+02 -0.307348D+02
                51            52            53            54            55 
      1  -0.267968D+01 -0.683386D+01  0.259942D+01  0.465393D+01 -0.209143D+02
      2  -0.390935D+01 -0.430394D+01 -0.579616D+01  0.388649D+01  0.299194D+02
      3  -0.126458D+02 -0.752553D+02 -0.128897D+02  0.102603D+02 -0.193296D+02
                56            57            58            59            60 
      1   0.295593D+01 -0.424977D+01 -0.267227D+02 -0.505293D+01 -0.396454D+00
      2   0.306147D+00  0.220185D+02  0.737351D+02  0.220220D+02  0.160542D+02
      3  -0.188970D+02  0.115269D+02 -0.233653D+03 -0.369951D+02 -0.284160D+02
                61            62            63            64            65 
      1  -0.518749D+01  0.592489D+01  0.473242D+01  0.462216D+03  0.152603D+02
      2   0.311900D+01  0.116184D+02 -0.106124D+02 -0.209960D+03 -0.201864D+02
      3   0.508732D+02 -0.127856D+02 -0.490406D+01 -0.309598D+03  0.125293D+03
                66            67            68            69            70 
      1   0.807035D+01  0.968822D+02  0.675184D+01  0.528545D+01  0.263862D+03
      2   0.557800D+01 -0.221480D+03 -0.172181D+02 -0.814690D+00 -0.581762D+03
      3  -0.154494D+03 -0.109359D+04 -0.103976D+03 -0.142338D+02 -0.158799D+03
                71            72            73            74            75 
      1   0.132572D+02 -0.213931D+01 -0.186600D+00 -0.463844D-01 -0.131872D+01
      2  -0.307451D+02  0.216600D+00  0.189849D+00  0.405862D-01 -0.139520D+02
      3  -0.818715D+01 -0.418315D+00 -0.128942D+03 -0.303986D+02 -0.599964D-01
                76            77            78            79            80 
      1   0.432944D+01  0.206379D-01 -0.278225D+02 -0.181945D+03 -0.284357D+02
      2  -0.352924D+00 -0.124349D+00  0.127555D+02  0.120660D+04  0.323733D+02
      3   0.381617D+04  0.284912D+02 -0.105954D+01 -0.793425D+00  0.319437D+00
                81            82            83            84            85 
      1   0.334058D-01  0.429388D+03  0.120249D+02 -0.524369D+01 -0.181964D+03
      2  -0.219112D+00 -0.235275D+03 -0.243286D+02  0.101314D+02  0.590574D+02
      3  -0.422194D+01  0.120345D+04  0.845279D+02 -0.132320D+03 -0.985875D+03
                86            87            88            89            90 
      1  -0.599927D+00  0.445370D+01 -0.154576D+03  0.710866D+01 -0.584546D+00
      2   0.228364D+02 -0.360360D+01 -0.241831D+03  0.108102D+02  0.187810D+01
      3   0.337265D+02  0.249707D+02 -0.120494D+03  0.783177D+01 -0.163685D+01
                91            92            93            94            95 
      1  -0.244590D+03 -0.874825D+01  0.462357D+01 -0.141403D+03 -0.951180D+00
      2   0.109131D+03  0.133727D+02 -0.905549D+01  0.135489D+03 -0.132293D+02
      3  -0.187118D+04 -0.139088D+02 -0.415986D+02 -0.349343D+03  0.204293D+03
                96            97            98            99           100 
      1  -0.201143D+01 -0.113727D+03  0.123310D+02 -0.184880D+01  0.262365D+02
      2  -0.113057D+02  0.781196D+01 -0.201773D+02 -0.656405D+01 -0.101609D+02
      3   0.128784D+03  0.421692D+02  0.309913D+02  0.529775D+02 -0.181219D+03
               101           102           103           104           105 
      1   0.874862D+00 -0.297967D+01 -0.226156D+02  0.144356D+00  0.631754D+00
      2  -0.273933D+01 -0.400973D+01 -0.327282D+02  0.101806D+02 -0.510008D+00
      3   0.642356D+02 -0.694169D+01 -0.183406D+03 -0.146363D+03 -0.269028D+02
               106           107           108           109           110 
      1   0.506548D+02  0.103948D+02  0.401565D+01  0.240763D+02 -0.130549D+01
      2   0.862819D+02 -0.351457D+00 -0.232107D+01  0.894495D+01 -0.215971D+00
      3  -0.333586D+02 -0.109117D+02 -0.107791D+01  0.574062D+02 -0.412991D+02
               111           112           113           114           115 
      1   0.480889D+01 -0.254218D+02  0.590025D+01 -0.584406D+01  0.203260D+02
      2   0.575420D+01 -0.562847D+01  0.329585D+01 -0.318861D+01 -0.355160D+01
      3  -0.137395D+02  0.380491D+01  0.438167D+02  0.744607D+01  0.804633D+02
               116           117           118           119           120 
      1  -0.516698D+01  0.144084D+02 -0.232170D+02  0.433456D+01 -0.124111D+02
      2  -0.371501D+01  0.136795D+02  0.240196D+02  0.153514D+01  0.124196D+02
      3  -0.347619D+02 -0.844397D+01 -0.654424D+02 -0.300388D+02  0.508103D+01
               121           122           123           124           125 
      1  -0.501969D+01 -0.931050D+01  0.102207D+01 -0.601305D+01  0.105003D+02
      2  -0.907986D+00  0.668265D+01 -0.141299D+01  0.691360D+01 -0.774933D+00
      3   0.340984D+02 -0.280244D+01 -0.987059D+01  0.501065D+02 -0.995959D+01
               126           127           128           129           130 
      1   0.153987D+02  0.870881D+01 -0.478995D+01  0.659813D+01 -0.139166D+01
      2  -0.136810D+02  0.457327D+00  0.705436D+01 -0.159271D+02 -0.207480D+02
      3   0.169241D+02 -0.385634D+02  0.100829D+02 -0.149381D+02  0.160215D+03
               131           132           133           134           135 
      1   0.298787D+01 -0.187404D+01  0.655465D+01  0.346217D+01 -0.684516D+01
      2  -0.196555D+02 -0.220282D+02 -0.263035D+02 -0.237948D+02  0.151253D+02
      3   0.232700D+02  0.307934D+02 -0.331777D+02  0.194232D+02  0.156294D+02
               136           137           138           139           140 
      1   0.121490D+02 -0.286025D+01  0.728185D+01 -0.131822D+02 -0.263377D+00
      2  -0.177032D+02 -0.512698D+01 -0.213641D+01 -0.775330D+01 -0.167742D+02
      3  -0.316588D+02  0.156141D+01 -0.113485D+02  0.284468D+02  0.632582D+01
               141           142           143           144           145 
      1  -0.172684D+02  0.533203D+01 -0.724465D+01 -0.770880D+01 -0.462457D+03
      2  -0.156905D+02 -0.119444D+02 -0.129076D+02  0.102819D+02  0.209830D+03
      3   0.194320D+02  0.237598D+02  0.162749D+02  0.924589D+01 -0.298726D+03
               146           147           148           149           150 
      1  -0.151660D+02  0.851793D+01 -0.994985D+02 -0.700212D+01  0.537458D+01
      2   0.203130D+02  0.551000D+01  0.222249D+03  0.173221D+02 -0.858905D+00
      3   0.124994D+03  0.154775D+03 -0.109056D+04 -0.104059D+03  0.147611D+02
               151           152           153           154           155 
      1   0.264965D+03  0.133078D+02  0.205329D+01  0.223517D+03  0.105279D+02
      2  -0.582540D+03 -0.308259D+02 -0.431767D-01 -0.336858D+02 -0.857097D+01
      3   0.157137D+03  0.825858D+01 -0.815638D+00  0.591945D+03 -0.122371D+03
               156           157           158           159           160 
      1  -0.488686D+01 -0.132884D+03  0.151465D+02  0.779215D+01  0.112255D+03
      2  -0.484397D+01 -0.748255D+02 -0.425861D+01 -0.377485D+01 -0.489988D+02
      3   0.420779D+02 -0.869577D+03 -0.281907D+02  0.107216D+03 -0.325190D+01
               161           162           163           164           165 
      1   0.724690D+01  0.357421D+01 -0.861936D+02 -0.549027D+01  0.255597D+01
      2   0.224572D+01  0.842904D+00  0.191505D+02 -0.600406D+01 -0.589998D+01
      3   0.203905D+02 -0.335798D+02  0.360130D+03  0.460389D+02  0.223907D+02
               166           167           168           169           170 
      1  -0.387889D+02 -0.133660D+02 -0.103965D+02 -0.101907D+03  0.605839D+01
      2   0.611595D+02  0.118482D+02  0.993675D+01  0.181018D+03  0.100857D+02
      3   0.363340D+03  0.636554D+02 -0.237977D+02  0.609696D+01 -0.192371D+02
               171           172           173           174           175 
      1  -0.357344D-01  0.209352D+02 -0.295270D+01 -0.424148D+01  0.265195D+02
      2  -0.413181D+01 -0.299641D+02 -0.343276D+00  0.219627D+02 -0.739520D+02
      3  -0.287414D+01 -0.194296D+02 -0.189255D+02 -0.115132D+02 -0.233259D+03
               176           177           178           179           180 
      1   0.501367D+01 -0.415742D+00 -0.521034D+01  0.590001D+01 -0.474572D+01
      2  -0.220182D+02  0.161229D+02  0.297658D+01  0.116439D+02  0.106826D+02
      3  -0.369882D+02  0.284396D+02 -0.503329D+02  0.127854D+02 -0.496745D+01
               181           182           183           184           185 
      1   0.254307D+02 -0.573566D+01  0.246962D+01 -0.170003D+02 -0.289251D+01
      2  -0.642988D+01 -0.257373D+01 -0.591664D+01  0.147017D+02  0.122886D+02
      3  -0.891301D+02  0.397818D+02  0.109291D+02  0.355907D+03  0.169643D+02
               186           187           188           189           190 
      1  -0.506725D+01  0.266139D+02  0.409065D+01 -0.621421D+01 -0.926307D+02
      2  -0.213313D+02 -0.246821D+02 -0.160419D+02  0.306588D+00  0.301217D+01
      3  -0.705220D+01  0.308096D+02  0.110196D+02  0.123480D+02  0.143046D+03
               191           192           193           194           195 
      1   0.524034D+01 -0.207094D+00 -0.174661D+02 -0.538410D+01 -0.252226D+01
      2  -0.604517D+01  0.358642D+01 -0.119647D+02 -0.557321D+01  0.898388D+01
      3  -0.119870D+03 -0.319972D+02  0.102619D+04 -0.824004D+02 -0.771192D+00
               196           197           198           199           200 
      1   0.421504D+02  0.127257D+02  0.463914D+01  0.702099D+01  0.628999D+01
      2  -0.222806D+03 -0.397275D+01 -0.627583D+01  0.170358D+02 -0.120978D+01
      3  -0.168946D+03  0.754452D+01 -0.158130D+02  0.791107D+02 -0.287398D+01
               201           202           203           204           205 
      1  -0.254086D+01 -0.100968D+02 -0.172429D+01 -0.438843D+01 -0.121719D+02
      2   0.167140D+02  0.471053D+01 -0.524950D+01  0.209033D+02  0.805422D+01
      3   0.129104D+00  0.152515D+02 -0.432684D+01  0.509659D+01  0.106983D+02
               206           207           208           209           210 
      1   0.504614D+01  0.742912D+01 -0.215374D+02 -0.469416D+01 -0.932065D+01
      2   0.208184D+02 -0.813492D+01  0.435225D+02  0.118895D+02  0.207294D+02
      3  -0.909573D+01 -0.221448D+02 -0.340618D+02 -0.118845D+02 -0.368089D+01
               211           212           213           214           215 
      1  -0.172760D+02  0.834673D+01 -0.268719D+01 -0.674240D+01  0.258826D+01
      2   0.366865D+02 -0.667042D+00 -0.390437D+01 -0.427744D+01 -0.575765D+01
      3  -0.858680D+02 -0.306889D+02  0.127260D+02  0.749682D+02  0.128962D+02
               216           217           218           219           220 
      1  -0.470429D+01 -0.121185D+02  0.290339D+01  0.723454D+01  0.132728D+02
      2  -0.380483D+01  0.177501D+02  0.519138D+01 -0.208732D+01  0.779247D+01
      3   0.101895D+02 -0.314703D+02  0.160600D+01  0.112930D+02  0.286646D+02
               221           222           223           224           225 
      1   0.215876D+00 -0.172656D+02  0.524657D+01 -0.724127D+01  0.775825D+01
      2   0.167344D+02 -0.157140D+02 -0.118941D+02 -0.129281D+02 -0.102830D+02
      3   0.625671D+01 -0.194648D+02 -0.238959D+02 -0.162827D+02  0.933747D+01
               226           227           228           229           230 
      1  -0.873401D+01  0.477124D+01  0.658112D+01  0.148590D+01 -0.297173D+01
      2  -0.432046D+00 -0.700577D+01 -0.158584D+02  0.208895D+02  0.196219D+02
      3  -0.386236D+02  0.100921D+02  0.149090D+02  0.160017D+03  0.232607D+02
               231           232           233           234           235 
      1  -0.182870D+01  0.654539D+01  0.350571D+01  0.687178D+01  0.232226D+02
      2  -0.221031D+02 -0.262114D+02 -0.238547D+02 -0.151762D+02 -0.241080D+02
      3  -0.307569D+02  0.330504D+02 -0.193735D+02  0.157239D+02 -0.651506D+02
               236           237           238           239           240 
      1  -0.432469D+01 -0.123829D+02  0.509759D+01  0.931542D+01  0.975105D+00
      2  -0.156864D+01  0.123900D+02  0.879578D+00 -0.668461D+01 -0.137310D+01
      3  -0.300241D+02 -0.508901D+01  0.338328D+02 -0.281092D+01  0.984015D+01
               241           242           243           244           245 
      1  -0.601854D+01  0.104617D+02 -0.154614D+02  0.241491D+03  0.884113D+01
      2   0.683691D+01 -0.743369D+00  0.137268D+02 -0.109299D+03 -0.132913D+02
      3  -0.502172D+02  0.991782D+01  0.168760D+02 -0.186705D+04 -0.138578D+02
               246           247           248           249           250 
      1   0.462196D+01  0.140980D+03  0.117579D+01 -0.225564D+01 -0.113467D+03
      2  -0.902637D+01 -0.135475D+03  0.132036D+02 -0.112500D+02  0.753958D+01
      3   0.424405D+02 -0.356646D+03  0.204645D+03 -0.128578D+03 -0.411361D+02
               251           252           253           254           255 
      1   0.122941D+02  0.193032D+01 -0.266030D+02 -0.797943D+00 -0.295199D+01
      2  -0.201638D+02  0.655329D+01  0.101527D+02  0.272445D+01 -0.401615D+01
      3  -0.311519D+02  0.529743D+02 -0.180727D+03  0.643439D+02  0.700450D+01
               256           257           258           259           260 
      1   0.221847D+02 -0.264832D+00  0.655196D+00  0.503970D+02  0.104056D+02
      2   0.326368D+02 -0.101418D+02 -0.527484D+00  0.864331D+02 -0.338044D+00
      3  -0.182415D+03 -0.146459D+03  0.269903D+02  0.330041D+02  0.110738D+02
               261           262           263           264           265 
      1  -0.403467D+01 -0.239506D+02  0.127180D+01  0.483171D+01  0.253754D+02
      2   0.227111D+01 -0.900034D+01  0.221747D+00  0.576293D+01  0.570056D+01
      3  -0.103154D+01  0.579667D+02 -0.413814D+02  0.137042D+02  0.316151D+01
               266           267           268           269           270 
      1  -0.586687D+01 -0.586564D+01  0.201861D+02 -0.514223D+01 -0.144219D+02
      2  -0.329928D+01 -0.319276D+01 -0.351588D+01 -0.371938D+01 -0.136774D+02
      3   0.438510D+02 -0.742696D+01 -0.809777D+02  0.347694D+02 -0.840397D+01
               271           272           273           274           275 
      1  -0.427834D+03 -0.119974D+02 -0.483409D+01  0.179196D+03  0.757815D+00
      2   0.235661D+03  0.241948D+02  0.100347D+02 -0.590140D+02 -0.227589D+02
      3   0.121221D+04  0.842209D+02  0.131825D+03 -0.988906D+03  0.337693D+02
               276           277           278           279           280 
      1   0.432552D+01 -0.153717D+03  0.708167D+01  0.625908D+00  0.622927D+01
      2  -0.357651D+01 -0.241972D+03  0.107483D+02 -0.179245D+01  0.397081D+02
      3  -0.244276D+02  0.122624D+03 -0.804969D+01 -0.192817D+01  0.103217D+03
               281           282           283           284           285 
      1   0.807275D+00  0.354280D+01 -0.422864D+01  0.297916D+01 -0.602116D+00
      2  -0.342809D+01  0.662997D+01 -0.264499D+02  0.337871D+01 -0.993566D+00
      3  -0.473728D+02  0.819642D+01  0.226372D+01  0.216299D+02 -0.998679D+01
               286           287           288           289           290 
      1  -0.771775D-01 -0.152213D+01  0.108562D+02 -0.639645D+01 -0.101503D+01
      2   0.262814D+02 -0.302799D+01  0.115696D+02  0.323781D+01  0.301402D+01
      3   0.102466D+03 -0.269403D+02  0.496883D+01  0.138046D+03  0.162197D+02
               291           292           293           294           295 
      1  -0.413816D+01 -0.105115D+02 -0.181899D+01 -0.638304D+01 -0.643508D+00
      2  -0.315576D+00 -0.473981D+01  0.528890D+01 -0.102134D+01 -0.727485D+01
      3  -0.835986D+01  0.144440D+03  0.514255D+02 -0.792014D+01 -0.360815D+02
               296           297           298           299           300 
      1  -0.319318D+01  0.304014D+01  0.661380D+01  0.101332D+01 -0.413171D+01
      2  -0.408098D+01  0.266642D+01 -0.322811D+01 -0.301748D+01 -0.315926D+00
      3  -0.702568D+01  0.836026D+01  0.138387D+03  0.162357D+02  0.831496D+01
               301           302           303           304           305 
      1   0.107558D+02  0.183616D+01 -0.637695D+01 -0.595432D+00 -0.318925D+01
      2   0.478048D+01 -0.529390D+01 -0.102268D+01 -0.725684D+01 -0.407983D+01
      3   0.144683D+03  0.514170D+02  0.786889D+01  0.361802D+02  0.701879D+01
               306           307           308           309           310 
      1  -0.304289D+01 -0.614895D+01 -0.847553D+00  0.352479D+01  0.434181D+01
      2  -0.266541D+01 -0.396888D+02  0.344178D+01  0.664586D+01  0.264745D+02
      3   0.835359D+01  0.102675D+03 -0.473438D+02 -0.823646D+01  0.255112D+01
               311           312           313           314           315 
      1  -0.295717D+01 -0.592884D+00 -0.195403D+00 -0.150138D+01 -0.108354D+02
      2  -0.338527D+01 -0.100883D+01  0.262732D+02 -0.303423D+01 -0.115687D+02
      3   0.216543D+02  0.997988D+01 -0.101952D+03  0.268838D+02  0.500880D+01
               316           317           318           319           320 
      1  -0.549286D+01  0.530173D+01 -0.359176D+01  0.296707D+01  0.306570D+01
      2   0.232907D+01 -0.370772D+00  0.656703D+01  0.558001D+00  0.363478D+01
      3  -0.233487D+02 -0.213797D+02 -0.437028D+00 -0.134210D+01 -0.187337D+02
               321           322           323           324           325 
      1  -0.501972D+01 -0.695484D+01  0.353458D+00  0.198588D+00  0.112237D+01
      2   0.775330D+01  0.182547D+02  0.581986D+01  0.293049D+01  0.799378D+01
      3  -0.544551D+01 -0.392242D+02 -0.132445D+02 -0.154218D+01  0.493538D+00
               326           327           328           329           330 
      1   0.335445D+00  0.788022D+01 -0.237550D+01 -0.154782D+01 -0.199315D+01
      2  -0.847568D+01 -0.184142D+02  0.219291D+01  0.704686D+01  0.583280D+01
      3   0.954098D+01  0.102033D+02  0.115145D+02 -0.504502D+01 -0.690830D+01
               331           332           333           334           335 
      1   0.444495D+01 -0.302594D-02 -0.855431D+01 -0.218886D+01  0.396591D+01
      2  -0.923521D+01  0.968118D+01  0.250065D+02 -0.244083D+01 -0.378863D+00
      3   0.801868D+01 -0.588396D+01 -0.122734D+02 -0.891645D+01 -0.134694D+02
               336           337           338           339           340 
      1  -0.153026D+01  0.508687D+01  0.711271D+00 -0.134569D+01  0.276181D+01
      2   0.119039D+02 -0.144889D+01  0.808237D+00 -0.234918D+00  0.102413D+02
      3   0.240667D+00  0.154212D+02  0.145011D+01 -0.364384D+01  0.187620D+02
               341           342           343           344           345 
      1   0.539506D+00 -0.179008D+01 -0.166278D+01 -0.310260D+01  0.146295D+01
      2  -0.269412D+00  0.358248D+01  0.507591D+01  0.453363D+01 -0.118918D+02
      3   0.870213D+00 -0.434385D+00  0.654417D+00  0.427113D+01 -0.371574D+01
               346           347           348           349           350 
      1  -0.132201D+01 -0.595653D+01  0.315844D+01 -0.405225D+01  0.602275D+01
      2  -0.221440D+01  0.106266D+02 -0.174012D+02  0.162220D+01 -0.125467D+02
      3   0.442878D+01  0.123340D+02 -0.111168D+02 -0.116952D+02 -0.940222D+01
               351           352           353           354           355 
      1  -0.640882D+01 -0.813042D+00  0.477628D+00  0.264128D+01  0.725129D+01
      2   0.341097D+02 -0.699640D+01  0.139278D+01  0.650288D+01  0.230636D+01
      3   0.147187D+02 -0.531453D+02 -0.169590D+02 -0.342610D+01 -0.372039D+02
               356           357           358           359           360 
      1  -0.111301D+01 -0.251571D+01 -0.616915D+01  0.222207D+01 -0.160023D+01
      2  -0.211729D+01 -0.456751D+01  0.580666D+01 -0.355307D+01 -0.286910D+01
      3   0.301890D+02  0.251886D+00 -0.689512D+01  0.202778D+01  0.455056D+01
               361           362           363           364           365 
      1   0.760773D+01  0.384722D+01  0.461570D+00  0.316099D+01  0.341501D+01
      2  -0.182450D+02 -0.677044D+01 -0.948925D+01 -0.711460D+01 -0.660425D+01
      3   0.369654D+02  0.478864D+01 -0.395124D+01 -0.121127D+00  0.280743D+01
               366           367           368           369           370 
      1   0.636365D+00  0.635141D+00  0.234502D+01  0.119576D+01  0.137728D+01
      2  -0.302615D+01 -0.491064D+01 -0.147400D+01 -0.271726D+01 -0.468490D+01
      3   0.182997D+01 -0.518528D+01 -0.206506D+01  0.375537D+01  0.139553D+02
               371           372           373           374           375 
      1  -0.881135D+00 -0.789957D+00 -0.287440D+01 -0.121832D+02  0.424883D+01
      2   0.128797D+01  0.974436D+00 -0.299659D+01 -0.126410D+02  0.216041D+02
      3  -0.182972D+01 -0.184735D+01 -0.567982D+01 -0.180848D+02  0.133963D+02
               376           377           378           379           380 
      1   0.177798D+01  0.847264D+01 -0.435896D+01  0.820952D+01 -0.718214D+01
      2   0.396569D+01  0.109450D+02 -0.220809D+02 -0.419138D+01  0.141521D+01
      3  -0.386651D+01  0.104616D+02 -0.112567D+02  0.439702D+01 -0.117604D+02
               381           382           383           384           385 
      1  -0.517398D+01 -0.973298D+01  0.105592D+02  0.692382D+01 -0.597916D+01
      2   0.110306D+02  0.314827D+01 -0.697337D+01 -0.885362D+01  0.614913D+01
      3  -0.853440D+01  0.172586D+01  0.158680D+02  0.116993D+02  0.411987D+01
               386           387           388           389           390 
      1   0.648634D+01  0.512265D+01 -0.474190D+01 -0.163506D+01 -0.381916D+01
      2  -0.280852D+01 -0.970554D+01  0.136625D+02  0.600688D+01  0.131039D+02
      3   0.912175D+01  0.629887D+01  0.400740D+01 -0.511610D+01 -0.235433D+01
               391           392           393           394           395 
      1  -0.306145D+01 -0.149420D+01 -0.426498D+01 -0.371696D+01 -0.165119D+01
      2   0.570723D+01  0.455448D+01  0.105684D+02  0.123756D+02  0.902276D+01
      3  -0.124863D+02 -0.762586D+01 -0.281444D+01 -0.601367D+01 -0.849352D+01
               396           397           398           399           400 
      1  -0.101845D+02  0.938602D+01 -0.310280D+01 -0.255517D+01 -0.615524D+01
      2   0.331532D+02 -0.141019D+02  0.190681D+01  0.105651D+02  0.287570D+01
      3  -0.555062D+01 -0.803350D+01 -0.195519D+02 -0.704037D+01 -0.335967D+02
               401           402           403           404           405 
      1   0.462212D+01  0.188660D+01 -0.552349D+01  0.258443D+01  0.210827D+01
      2  -0.496835D+01 -0.823895D+01  0.118356D+02 -0.752832D+00 -0.745176D+01
      3   0.174090D+02  0.114195D+02 -0.798419D+01  0.968148D+01  0.575436D+01
               406           407           408           409           410 
      1   0.761242D+00 -0.410526D+00 -0.635410D+00 -0.634301D+00 -0.284793D+01
      2  -0.309414D+01 -0.654000D+00  0.296399D+01 -0.931242D+01 -0.168739D+02
      3   0.910890D+01 -0.244923D+01 -0.739291D+00 -0.195521D+02 -0.322138D+02
               411           412           413           414           415 
      1  -0.324441D+01 -0.220368D+01  0.170041D+01  0.268171D+01 -0.604324D+01
      2   0.183279D+02  0.126083D+02  0.155220D+02 -0.184451D+02  0.648865D+01
      3   0.173659D+02  0.460429D+01  0.205063D+02 -0.142039D+02  0.156491D+02
               416           417           418           419           420 
      1   0.539879D+01  0.793450D+01  0.301329D+01 -0.735508D+01 -0.589470D+01
      2  -0.339544D+00 -0.264492D+01  0.245830D+01  0.250483D+01  0.110246D+01
      3   0.209778D+02  0.748850D+01  0.487158D+02 -0.176266D+02 -0.736998D+01
               421           422           423           424           425 
      1   0.379603D+01 -0.541058D+01 -0.657894D+01 -0.391933D+01 -0.120916D+01
      2  -0.526783D+01  0.335589D+01  0.244408D+01  0.457849D+01 -0.126490D+00
      3   0.161224D+02 -0.154412D+02 -0.100387D+02 -0.345967D+01 -0.831997D+01
               426           427           428           429           430 
      1  -0.420461D+01  0.255993D+01 -0.262753D+01 -0.384695D+01 -0.465383D+01
      2   0.414224D+01 -0.407891D+01  0.280701D+00  0.340082D+01  0.512188D+01
      3   0.136415D+01 -0.310957D+02 -0.148121D+02  0.935285D+00  0.567857D+01
               431           432           433           434           435 
      1  -0.157905D+01  0.139839D+01  0.235540D+01 -0.881012D+00  0.821005D+01
      2   0.292976D+01 -0.173356D+01 -0.637449D+01  0.238454D+01 -0.768791D+01
      3  -0.141442D+01 -0.212021D+01  0.172869D+02  0.769040D+01 -0.703890D+01
               436           437           438           439           440 
      1   0.520050D+00  0.228548D+01 -0.387928D+00 -0.538130D+00 -0.175991D+01
      2  -0.169975D+01 -0.221175D+01  0.104316D+01 -0.282122D+01  0.758779D+01
      3   0.997709D+01  0.446256D+00  0.239557D+01 -0.132998D+02  0.104971D+02
               441           442           443           444           445 
      1   0.233472D+02 -0.137265D+01  0.849548D+00 -0.798902D+00  0.284325D+01
      2  -0.209477D+02  0.467932D+01 -0.131574D+01  0.927644D+00  0.296787D+01
      3  -0.151154D+02  0.139787D+02 -0.178411D+01  0.187147D+01 -0.563415D+01
               446           447           448           449           450 
      1   0.122099D+02  0.424559D+01  0.176862D+01  0.846817D+01  0.435330D+01
      2   0.126619D+02  0.216009D+02  0.392980D+01  0.109417D+02  0.220404D+02
      3  -0.181020D+02 -0.133855D+02  0.395727D+01 -0.104399D+02 -0.112332D+02
               451           452           453           454           455 
      1  -0.759314D+01 -0.384495D+01  0.449694D+00 -0.318268D+01 -0.341505D+01
      2   0.182394D+02  0.675629D+01 -0.944555D+01  0.711570D+01  0.660664D+01
      3   0.369589D+02  0.478958D+01  0.395300D+01 -0.358728D-01  0.280021D+01
               456           457           458           459           460 
      1   0.628953D+00  0.630127D+00  0.234316D+01 -0.119739D+01 -0.820890D+01
      2  -0.302447D+01 -0.487886D+01 -0.147092D+01  0.267975D+01  0.418998D+01
      3  -0.181472D+01  0.528263D+01  0.206665D+01  0.376631D+01  0.441709D+01
               461           462           463           464           465 
      1   0.716952D+01 -0.518554D+01  0.972633D+01 -0.105293D+02  0.693133D+01
      2  -0.142988D+01  0.110487D+02 -0.315229D+01  0.698601D+01 -0.885818D+01
      3  -0.117340D+02  0.854268D+01  0.181751D+01  0.158154D+02 -0.116961D+02
               466           467           468           469           470 
      1  -0.600665D+01  0.649949D+01 -0.514619D+01 -0.733539D+00  0.415173D+00
      2   0.616453D+01 -0.282053D+01  0.975912D+01  0.308526D+01  0.642911D+00
      3  -0.414900D+01 -0.913800D+01  0.632618D+01  0.914989D+01 -0.243082D+01
               471           472           473           474           475 
      1  -0.632577D+00  0.641667D+00  0.286811D+01 -0.322890D+01 -0.219707D+01
      2   0.296089D+01  0.930683D+01  0.168826D+02  0.183298D+02  0.126092D+02
      3   0.740236D+00 -0.195581D+02 -0.322220D+02 -0.173774D+02 -0.455721D+01
               476           477           478           479           480 
      1   0.171509D+01 -0.266957D+01 -0.943870D+01  0.310514D+01 -0.256493D+01
      2   0.155157D+02  0.184444D+02  0.141097D+02 -0.192343D+01  0.105693D+02
      3  -0.204990D+02 -0.141940D+02 -0.816002D+01 -0.195371D+02  0.707176D+01
               481           482           483           484           485 
      1   0.617743D+01 -0.464024D+01  0.190317D+01 -0.555067D+01  0.259990D+01
      2  -0.293333D+01  0.499252D+01 -0.827158D+01  0.118772D+02 -0.772253D+00
      3  -0.335656D+02  0.174280D+02 -0.114613D+02  0.796469D+01 -0.972061D+01
               486           487           488           489           490 
      1  -0.212322D+01  0.475582D+01  0.163571D+01 -0.382896D+01  0.305726D+01
      2   0.749920D+01 -0.137005D+02 -0.601118D+01  0.131520D+02 -0.571592D+01
      3   0.579196D+01  0.401782D+01 -0.513063D+01  0.235031D+01 -0.124935D+02
               491           492           493           494           495 
      1   0.148838D+01 -0.425015D+01 -0.371578D+01 -0.164202D+01  0.101619D+02
      2  -0.453515D+01  0.105348D+02  0.124132D+02  0.899224D+01 -0.331275D+02
      3  -0.760612D+01  0.279450D+01  0.601171D+01  0.847288D+01 -0.551274D+01
               496           497           498           499           500 
      1   0.216799D+01 -0.396259D+01 -0.152422D+01 -0.508669D+01 -0.698343D+00
      2   0.249071D+01  0.382677D+00  0.118984D+02  0.146367D+01 -0.804302D+00
      3  -0.883921D+01 -0.134653D+02 -0.252691D+00  0.154894D+02  0.145475D+01
               501           502           503           504           505 
      1  -0.134463D+01  0.276942D+01  0.525972D+00  0.178277D+01  0.166644D+01
      2  -0.237766D+00  0.102281D+02 -0.275105D+00 -0.355022D+01 -0.505493D+01
      3   0.362966D+01 -0.188273D+02 -0.884932D+00 -0.422919D+00  0.607050D+00
               506           507           508           509           510 
      1   0.309603D+01  0.145232D+01  0.132410D+01  0.595304D+01  0.315417D+01
      2  -0.452647D+01 -0.118679D+02  0.223015D+01 -0.106374D+02 -0.174079D+02
      3   0.427125D+01  0.370918D+01  0.447057D+01  0.123543D+02  0.111344D+02
               511           512           513           514           515 
      1  -0.405491D+01  0.602790D+01  0.639673D+01 -0.110855D+01 -0.332245D+00
      2   0.165478D+01 -0.125601D+02 -0.341297D+02 -0.795819D+01  0.847800D+01
      3   0.116844D+02  0.942368D+01  0.147387D+02  0.555990D+00  0.953575D+01
               516           517           518           519           520 
      1   0.787907D+01  0.239031D+01  0.155057D+01 -0.199804D+01  0.441477D+01
      2  -0.184283D+02 -0.219315D+01 -0.705288D+01  0.584941D+01 -0.923063D+01
      3  -0.101933D+02  0.114923D+02 -0.504046D+01  0.691066D+01 -0.793303D+01
               521           522           523           524           525 
      1  -0.751677D-02  0.857535D+01  0.544387D+01 -0.531692D+01 -0.359202D+01
      2   0.970193D+01 -0.250804D+02 -0.234708D+01  0.374453D+00  0.657281D+01
      3   0.589029D+01 -0.122761D+02 -0.234560D+02 -0.214049D+02  0.443687D+00
               526           527           528           529           530 
      1  -0.297052D+01 -0.307044D+01 -0.501518D+01 -0.687962D+01  0.358669D+00
      2  -0.534023D+00 -0.361432D+01  0.774938D+01  0.182533D+02  0.582106D+01
      3  -0.130991D+01 -0.186942D+02  0.542161D+01  0.393929D+02  0.132181D+02
               531           532           533           534           535 
      1  -0.197437D+00  0.723873D+00 -0.480487D+00  0.264514D+01 -0.727754D+01
      2  -0.292752D+01  0.700078D+01 -0.140169D+01  0.649563D+01 -0.231659D+01
      3  -0.156541D+01 -0.530807D+02 -0.169493D+02  0.346006D+01 -0.370754D+02
               536           537           538           539           540 
      1   0.110815D+01 -0.251433D+01 -0.615356D+01  0.222887D+01  0.160546D+01
      2   0.213309D+01 -0.457413D+01  0.583745D+01 -0.356380D+01  0.288757D+01
      3   0.302205D+02 -0.264822D+00  0.688246D+01 -0.205406D+01  0.456622D+01
               541           542           543           544           545 
      1   0.386890D+01  0.119318D+01 -0.420635D+01 -0.261031D+01  0.260464D+01
      2  -0.455005D+01  0.137902D+00  0.414438D+01  0.407622D+01 -0.273405D+00
      3  -0.344500D+01 -0.832314D+01 -0.134743D+01 -0.311831D+02 -0.147880D+02
               546           547           548           549           550 
      1  -0.384756D+01 -0.465539D+01 -0.158185D+01 -0.140127D+01  0.606865D+01
      2   0.340125D+01  0.511048D+01  0.293408D+01  0.173457D+01 -0.648005D+01
      3  -0.919893D+00 -0.569587D+01  0.140724D+01 -0.212233D+01  0.158045D+02
               551           552           553           554           555 
      1  -0.540056D+01  0.794180D+01 -0.294311D+01  0.737575D+01 -0.591679D+01
      2   0.362942D+00 -0.265640D+01 -0.244201D+01 -0.253055D+01  0.112016D+01
      3   0.209647D+02 -0.751244D+01  0.486462D+02 -0.176428D+02  0.738229D+01
               556           557           558           559           560 
      1   0.378439D+01 -0.543440D+01  0.661612D+01 -0.233244D+01  0.886200D+00
      2  -0.526608D+01  0.338072D+01 -0.247506D+01  0.638356D+01 -0.239079D+01
      3  -0.161123D+02  0.154846D+02 -0.100681D+02  0.173403D+02  0.771939D+01
               561           562           563           564           565 
      1   0.822987D+01 -0.507993D+00 -0.228680D+01 -0.404836D+00 -0.503468D+00
      2  -0.770265D+01  0.169783D+01  0.221850D+01  0.105835D+01 -0.283879D+01
      3   0.704966D+01  0.996342D+01  0.428396D+00 -0.241129D+01  0.133503D+02
               566           567 
      1  -0.176520D+01 -0.233109D+02
      2   0.758994D+01  0.209109D+02
      3  -0.105016D+02 -0.151307D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130825D+03 -0.123937D+02  0.312621D+02 -0.151570D+02  0.241922D+02
      2   0.771362D+02  0.157373D+02 -0.108357D+02  0.719674D+01 -0.138688D+02
      3   0.536884D+02 -0.334360D+01 -0.204265D+02  0.796026D+01 -0.103234D+02
      4  -0.260175D+02  0.127330D+02  0.528943D+01  0.181611D+02 -0.852231D+01
      5   0.548835D+02  0.798141D+01  0.113833D+02 -0.297846D+01  0.910091D+00
      6   0.137394D+01 -0.424978D+01 -0.221318D+01 -0.833705D+00  0.253141D+01
                 6             7             8             9            10 
      1   0.110355D+02 -0.311576D+01  0.681961D+01  0.232811D+02 -0.306208D+02
      2   0.403958D+01  0.732491D+01  0.586654D+01 -0.703784D+01  0.206713D+02
      3  -0.150750D+02 -0.420915D+01 -0.126861D+02 -0.162433D+02  0.994947D+01
      4   0.533765D+01 -0.760358D+01 -0.241099D+01  0.309673D+02  0.318302D+02
      5   0.311882D+02  0.265082D+02  0.313955D+02  0.298690D+00 -0.160360D+02
      6  -0.632156D+00  0.251063D+01  0.241296D+01 -0.112407D+02 -0.111254D+02
                11            12            13            14            15 
      1   0.809812D+01 -0.761063D+01  0.104492D+02 -0.413705D+02  0.103122D+02
      2  -0.425129D+00  0.434542D+01  0.822923D+01  0.240041D+02 -0.847119D+01
      3  -0.767299D+01  0.326521D+01 -0.186784D+02  0.173664D+02 -0.184102D+01
      4  -0.344807D+02  0.824689D+01 -0.127059D+03  0.528540D+01 -0.210529D+02
      5   0.109983D+02 -0.190828D+02  0.285538D+02 -0.183873D+02 -0.419050D+02
      6   0.228406D+01 -0.152056D+01  0.733457D+01  0.451017D+00 -0.887728D+01
                16            17            18            19            20 
      1  -0.110837D+02  0.784174D+01 -0.317326D+02  0.156926D+03  0.591840D+02
      2   0.892212D-01 -0.748198D+01  0.215583D+02 -0.663855D+02 -0.457417D+02
      3   0.109944D+02 -0.359757D+00  0.101743D+02 -0.905405D+02 -0.134422D+02
      4   0.117569D+02 -0.132196D+02 -0.251982D+02  0.300229D+02  0.918098D+02
      5  -0.642465D+02 -0.292700D+02  0.275809D+01  0.185501D+02  0.275806D+01
      6  -0.987843D+01 -0.601302D+01  0.234943D+00  0.837563D+02 -0.325476D+01
                21            22            23            24            25 
      1   0.161226D+00  0.464026D+01  0.256719D+02 -0.316701D+00 -0.223928D+02
      2  -0.669652D+00 -0.362244D+01 -0.618467D+01  0.176359D+01  0.149595D+02
      3   0.508426D+00 -0.101782D+01 -0.194873D+02 -0.144689D+01  0.743329D+01
      4   0.121382D+01 -0.879977D+01  0.693178D+02  0.104747D+02 -0.212700D+02
      5   0.142762D+02  0.236210D+02  0.102919D+02  0.139988D+02  0.510410D+02
      6  -0.144756D+01  0.348385D+02  0.104653D+02  0.416811D+01  0.132431D+02
                26            27            28            29            30 
      1   0.443015D+00  0.184221D+02 -0.283950D+03  0.776562D+01  0.102402D+02
      2  -0.854392D-02 -0.190686D+02  0.792473D+02 -0.167313D+02 -0.743127D+01
      3  -0.434471D+00  0.646527D+00  0.204703D+03  0.896566D+01 -0.280896D+01
      4   0.106262D+02  0.998462D+01 -0.311394D+03  0.181137D+02  0.128347D+02
      5   0.141992D+02  0.688946D+01 -0.919687D+02 -0.115406D+02 -0.166796D+02
      6   0.936479D+01  0.919870D+00 -0.241405D+03 -0.152757D+02 -0.703737D+01
                31            32            33            34            35 
      1  -0.269984D+02  0.398867D+02  0.406900D+01 -0.333661D+02 -0.700162D+01
      2   0.131922D+02 -0.435849D+02 -0.193559D+01  0.180907D+02 -0.793125D+00
      3   0.138062D+02  0.369820D+01 -0.213341D+01  0.152755D+02  0.779475D+01
      4  -0.796387D+02  0.275299D+02  0.259413D+02 -0.617676D+02 -0.170062D+00
      5  -0.365324D+02 -0.486241D+01  0.218975D+01  0.447570D+02  0.192707D+02
      6   0.563439D+02 -0.206228D+02 -0.634217D+01  0.424858D+02  0.383141D+01
                36            37            38            39            40 
      1   0.759825D+01  0.421973D+02  0.116610D+02 -0.144939D+02  0.160659D+03
      2  -0.150005D+02  0.366175D+02  0.549006D+01  0.126796D+02 -0.611217D+02
      3   0.740224D+01 -0.788148D+02 -0.171511D+02  0.181437D+01 -0.995371D+02
      4   0.213487D+02  0.802705D+02  0.116762D+02  0.111690D+02  0.138401D+03
      5   0.783532D+01  0.327249D+02  0.221206D+02 -0.258360D+02  0.726710D+02
      6  -0.343302D+01  0.103068D+03  0.149974D+02 -0.640176D+01  0.501681D+02
                41            42            43            44            45 
      1   0.170529D+02  0.246147D+02 -0.816043D+01  0.271648D+02 -0.428413D+02
      2   0.100211D+01 -0.201507D+02  0.606431D+01 -0.234102D+02  0.310653D+02
      3  -0.180550D+02 -0.446397D+01  0.209612D+01 -0.375463D+01  0.117761D+02
      4   0.129597D+02 -0.143073D+02  0.511419D+02  0.921710D+01 -0.204251D+02
      5  -0.771477D+01  0.206098D+02 -0.702086D+02 -0.184700D+02  0.162283D+02
      6   0.435452D+01  0.649570D+01 -0.482238D+02 -0.562719D+01  0.133271D+02
                46            47            48            49            50 
      1  -0.177381D+02 -0.252856D+02  0.279881D+02 -0.625775D+02 -0.389708D+02
      2  -0.104329D+02 -0.487468D+01 -0.621991D+01  0.161343D+02  0.154530D+02
      3   0.281710D+02  0.301603D+02 -0.217682D+02  0.464432D+02  0.235179D+02
      4  -0.676719D+02 -0.513262D+02  0.884561D+01 -0.902156D+02 -0.257471D+02
      5   0.243187D+02  0.766224D+01  0.179154D+02  0.250503D+02  0.283586D+02
      6   0.177403D+02  0.858144D+01  0.147000D+02  0.222213D+02  0.123046D+02
                51            52            53            54            55 
      1  -0.238405D+01 -0.914901D+01 -0.207734D+02  0.415250D+02 -0.193330D+02
      2   0.321328D+01  0.120100D+02  0.132590D+02 -0.273832D+02 -0.128346D+02
      3  -0.829229D+00 -0.286096D+01  0.751445D+01 -0.141418D+02  0.321676D+02
      4   0.238234D+02 -0.156088D+02 -0.624141D+01  0.895414D+01 -0.616109D+02
      5  -0.754706D+01  0.390889D+02  0.371816D+01 -0.209073D+02  0.160353D+02
      6  -0.845548D+01  0.152887D+02 -0.498785D+01 -0.313587D+01 -0.108073D+02
                56            57            58            59            60 
      1  -0.586431D+02  0.121930D+02 -0.139236D+03  0.432190D+01 -0.278173D+02
      2   0.362736D+02 -0.183756D+02  0.729472D+02 -0.114133D+02  0.145764D+02
      3   0.223695D+02  0.618255D+01  0.662886D+02  0.709141D+01  0.132409D+02
      4  -0.366408D+01 -0.131088D+02  0.386417D+01  0.939033D+01  0.279351D+02
      5  -0.221738D+02  0.434659D+02 -0.541548D+02  0.256449D+02  0.233881D+02
      6  -0.184064D+01  0.444425D+01 -0.162989D+02 -0.345100D+00  0.136149D+02
                61            62            63            64            65 
      1   0.714462D+02 -0.197881D+02  0.492223D+02  0.224482D+03  0.113106D+02
      2  -0.447080D+02  0.142272D+02 -0.225340D+02 -0.560778D+02 -0.130065D+01
      3  -0.267382D+02  0.556092D+01 -0.266883D+02 -0.168404D+03 -0.100099D+02
      4   0.886944D+01  0.305198D+02  0.313924D+02  0.137857D+03 -0.306071D+02
      5   0.798741D+02  0.247625D+02  0.209022D+01  0.165297D+03  0.646270D+01
      6   0.238465D+02  0.116830D+02  0.580644D+01  0.414834D+03  0.176396D+02
                66            67            68            69            70 
      1   0.975395D+01  0.121765D+03 -0.745074D+01  0.230854D+01  0.240946D+02
      2  -0.673130D+01 -0.806331D+02  0.143411D+02 -0.180203D+01 -0.210642D+02
      3  -0.302265D+01 -0.411317D+02 -0.689034D+01 -0.506509D+00 -0.303039D+01
      4   0.275521D+02  0.492207D+03  0.514794D+02  0.659325D+01  0.541100D+02
      5   0.155253D+02  0.418613D+02  0.774791D+01  0.969685D+01  0.509365D+02
      6   0.184543D+01  0.409101D+02  0.910485D+01  0.155776D+02  0.104053D+03
                71            72            73            74            75 
      1   0.428569D+01 -0.273518D+01 -0.156673D+03  0.304742D+01  0.264515D-01
      2  -0.281354D+01  0.172224D+01 -0.202013D+02 -0.643113D+01 -0.426759D-02
      3  -0.147214D+01  0.101294D+01  0.176875D+03  0.338371D+01 -0.221839D-01
      4   0.235840D+01  0.482149D+01 -0.300363D+02 -0.141908D+02  0.262383D-01
      5   0.479235D+01  0.132217D+01  0.877310D-01  0.205026D-02 -0.211231D+02
      6   0.103116D+02  0.367664D+01  0.794849D-01  0.138861D-01 -0.583887D+01
                76            77            78            79            80 
      1  -0.413842D+03 -0.169932D+02  0.851971D-01 -0.105896D+00 -0.230216D-01
      2   0.246465D+03  0.567712D+01 -0.417162D-01  0.187879D+00  0.196761D-01
      3   0.167377D+03  0.113161D+02 -0.434809D-01 -0.819832D-01  0.334556D-02
      4  -0.120949D+04 -0.283716D+01  0.312641D+00  0.271332D+00 -0.185719D-01
      5   0.141848D-01  0.202777D-01 -0.475238D+01 -0.669690D+02  0.439441D-01
      6  -0.665460D+00  0.128048D-01 -0.232967D+02 -0.652561D+02  0.291724D+00
                81            82            83            84            85 
      1  -0.342562D+02  0.729091D+02 -0.634657D+02 -0.927280D+00  0.151946D+03
      2  -0.165569D+01  0.378679D+02  0.541026D+02  0.313094D+01 -0.104616D+03
      3   0.359119D+02 -0.110777D+03  0.936312D+01 -0.220366D+01 -0.473298D+02
      4  -0.867363D-01 -0.157929D+03 -0.122124D+02  0.244779D+02  0.390142D+03
      5   0.322859D-01  0.955433D+02  0.420154D+01  0.205441D+02 -0.218241D+02
      6   0.199088D-01  0.374088D+03  0.101748D+02  0.944230D+01 -0.119693D+03
                86            87            88            89            90 
      1  -0.163886D+02 -0.267151D+01  0.548604D+01  0.115783D+01 -0.771606D+01
      2   0.181114D+02  0.677585D+00  0.290978D+01 -0.303772D+01  0.505796D+01
      3  -0.172282D+01  0.199392D+01 -0.839582D+01  0.187989D+01  0.265811D+01
      4  -0.174905D+02 -0.605245D+01  0.403575D+02 -0.856544D+00 -0.154489D+01
      5  -0.327233D+01 -0.872326D+00  0.307472D+00 -0.529509D+00  0.123492D+01
      6   0.603524D+01  0.122292D+02 -0.663387D+02  0.890586D+01  0.447206D+01
                91            92            93            94            95 
      1  -0.203522D+02  0.208525D+02  0.819424D+01 -0.109283D+03 -0.911570D+02
      2  -0.748597D+02 -0.197252D+02 -0.566709D+01  0.114967D+03  0.671764D+02
      3   0.952118D+02 -0.112734D+01 -0.252715D+01 -0.568421D+01  0.239807D+02
      4   0.353243D+03 -0.366812D+02  0.899226D+01 -0.221202D+03 -0.144614D+03
      5  -0.782926D+02 -0.645351D+01 -0.226574D+02 -0.623150D+02 -0.140275D+02
      6  -0.258384D+03 -0.105075D+02 -0.988943D+00 -0.603874D+02 -0.708360D+01
                96            97            98            99           100 
      1  -0.215312D+02 -0.993699D+01 -0.130410D+02 -0.253946D+02 -0.542931D+01
      2   0.156230D+02  0.964418D+01  0.670903D+01  0.124824D+02  0.383781D+02
      3   0.590826D+01  0.292811D+00  0.633194D+01  0.129122D+02 -0.329487D+02
      4  -0.450430D+02 -0.588669D+02 -0.167316D+02 -0.333389D+02 -0.271402D+02
      5  -0.242594D+02 -0.572609D+01 -0.231685D+02 -0.113077D+02 -0.587803D+00
      6  -0.188895D+01 -0.367253D+02  0.117044D+02  0.271383D+01  0.405354D+02
               101           102           103           104           105 
      1  -0.266652D+02 -0.107492D+01  0.271241D+02  0.511468D+02  0.130812D+02
      2   0.189896D+02 -0.728887D+00 -0.942629D+02 -0.421741D+02 -0.868320D+01
      3   0.767554D+01  0.180381D+01  0.671388D+02 -0.897266D+01 -0.439804D+01
      4  -0.449813D+02 -0.497302D+01  0.181906D+03  0.304598D+02  0.757894D+01
      5  -0.325813D+01 -0.163984D+02  0.263997D+02  0.187780D+01 -0.793513D+00
      6  -0.554578D+01  0.109046D+02 -0.452627D+02  0.722677D+01 -0.771219D+01
               106           107           108           109           110 
      1   0.112882D+02  0.220049D+00 -0.349823D+01  0.224411D+02  0.119689D+02
      2  -0.170473D+02  0.503051D+01 -0.170870D+01 -0.149584D+02 -0.193982D+02
      3   0.575907D+01 -0.525056D+01  0.520693D+01 -0.748268D+01  0.742932D+01
      4   0.339687D+02 -0.120404D+02  0.151104D+02 -0.217422D+02  0.433531D+02
      5  -0.107221D+02  0.117149D+02 -0.780344D+00  0.225797D+02 -0.265167D+01
      6   0.210828D+02 -0.143154D+02 -0.275950D+00 -0.109365D+02  0.366173D+01
               111           112           113           114           115 
      1   0.122333D+02  0.487605D+01 -0.193578D+02  0.179739D+01  0.378304D+01
      2  -0.681170D+01 -0.393943D+01  0.311593D+02 -0.695546D+01 -0.786809D+01
      3  -0.542163D+01 -0.936620D+00 -0.118015D+02  0.515807D+01  0.408505D+01
      4  -0.574267D+01  0.758109D+01 -0.416264D+02  0.706030D+01 -0.216447D+02
      5   0.129277D+02 -0.135345D+02  0.808247D+01 -0.646219D+01  0.308005D+02
      6  -0.878131D+01  0.383996D+01 -0.121975D+02  0.110099D+02 -0.210585D+02
               116           117           118           119           120 
      1   0.196165D+02  0.420184D+00 -0.697592D+01 -0.319382D+02  0.654633D+01
      2  -0.245149D+02  0.687993D+00 -0.353167D+02  0.536738D+01 -0.204994D+02
      3   0.489843D+01 -0.110818D+01  0.422926D+02  0.265709D+02  0.139530D+02
      4   0.393626D+02 -0.162283D+02 -0.555592D+02 -0.419667D+02 -0.717054D+01
      5  -0.142234D+02  0.303161D+02 -0.787601D+01 -0.157764D+02  0.222709D+02
      6   0.208485D+02 -0.281224D+02 -0.166053D+02 -0.156247D+02  0.183187D+02
               121           122           123           124           125 
      1  -0.258138D+02 -0.173783D+02 -0.210434D+02  0.618139D+01 -0.191070D+02
      2  -0.261650D+01  0.164313D+01  0.210746D+02 -0.116816D+02  0.248373D+02
      3   0.284303D+02  0.157352D+02 -0.312011D-01  0.550019D+01 -0.573030D+01
      4  -0.628011D+02 -0.205858D+02 -0.601957D-01 -0.166261D+02 -0.865906D+00
      5  -0.179203D+02  0.571319D+01 -0.642869D+01  0.189459D+02 -0.370765D+01
      6  -0.148152D+02  0.121801D+02 -0.248858D+01  0.149639D+02 -0.516679D+01
               126           127           128           129           130 
      1   0.329151D+02 -0.602648D+01  0.583082D+02 -0.887046D+01  0.136186D+03
      2  -0.109633D+02  0.175170D+02 -0.365138D+02  0.140391D+02 -0.827901D+02
      3  -0.219518D+02 -0.114906D+02 -0.217943D+02 -0.516867D+01 -0.533956D+02
      4   0.109587D+02  0.659239D+02 -0.370468D+01  0.220107D+02 -0.339183D+02
      5  -0.184698D+02 -0.170722D+02  0.262909D+02 -0.334561D+02  0.501623D+02
      6  -0.240120D+02  0.106459D+02  0.580410D+00 -0.295501D+01 -0.683862D-01
               131           132           133           134           135 
      1  -0.146063D+02  0.412529D+02 -0.268727D+02  0.302160D+02 -0.420557D+02
      2   0.861357D+01 -0.248782D+02  0.209548D+02 -0.182311D+02  0.985041D+01
      3   0.599273D+01 -0.163746D+02  0.591788D+01 -0.119849D+02  0.322053D+02
      4  -0.244476D+02 -0.356901D+02  0.118315D+02 -0.336913D+02 -0.429330D+02
      5  -0.372547D+02 -0.278129D+02 -0.591760D+02 -0.344936D+02  0.110367D+02
      6  -0.123349D+02 -0.190785D+02 -0.148918D+02 -0.187538D+02 -0.354692D+01
               136           137           138           139           140 
      1   0.369652D+02  0.357189D+02 -0.825633D+01  0.551054D+02  0.437599D+00
      2  -0.863184D+01 -0.256830D+02  0.122910D+02 -0.361403D+02  0.138901D+02
      3  -0.283334D+02 -0.100360D+02 -0.403464D+01 -0.189652D+02 -0.143277D+02
      4   0.460602D+02 -0.481162D+01  0.187116D+02 -0.241919D+02 -0.657710D+01
      5  -0.293315D+01  0.314793D+02 -0.272797D+02  0.349180D+02 -0.415159D+02
      6   0.165960D+02 -0.499098D+01  0.581650D+01 -0.209752D+02 -0.956593D+01
               141           142           143           144           145 
      1   0.318345D+02 -0.994181D+01  0.252975D+02 -0.251500D+02  0.224076D+03
      2  -0.120513D+02  0.173140D+02 -0.684994D+01  0.624259D+01 -0.553672D+02
      3  -0.197832D+02 -0.737215D+01 -0.184476D+02  0.189075D+02 -0.168709D+03
      4  -0.379742D+02  0.896946D+01 -0.261247D+02 -0.193552D+02  0.136382D+03
      5  -0.946451D+01 -0.366767D+02 -0.125126D+02 -0.700486D+01 -0.165482D+03
      6  -0.303157D+02  0.424418D+00 -0.208313D+02 -0.120579D+02 -0.414685D+03
               146           147           148           149           150 
      1   0.112496D+02 -0.987511D+01  0.121641D+03 -0.745859D+01 -0.232681D+01
      2  -0.125013D+01  0.675957D+01 -0.805181D+02  0.143396D+02  0.181420D+01
      3  -0.999950D+01  0.311555D+01 -0.411232D+02 -0.688097D+01  0.512601D+00
      4  -0.305629D+02 -0.276316D+02  0.492035D+03  0.514648D+02 -0.680334D+01
      5  -0.647444D+01  0.155654D+02 -0.418475D+02 -0.777740D+01  0.970857D+01
      6  -0.176579D+02  0.193341D+01 -0.404813D+02 -0.914444D+01  0.155896D+02
               151           152           153           154           155 
      1  -0.236704D+02 -0.425865D+01 -0.271119D+01 -0.284610D+03  0.777305D+01
      2   0.207734D+02  0.280625D+01  0.170023D+01  0.793616D+02 -0.167459D+02
      3   0.289699D+01  0.145240D+01  0.101096D+01  0.205248D+03  0.897284D+01
      4  -0.538512D+02 -0.241370D+01  0.490996D+01 -0.312776D+03  0.181340D+02
      5   0.511008D+02  0.478914D+01 -0.134910D+01  0.920753D+02  0.115518D+02
      6   0.104346D+03  0.103175D+02 -0.373271D+01  0.241170D+03  0.152915D+02
               156           157           158           159           160 
      1  -0.101076D+02 -0.274298D+02  0.398767D+02 -0.403493D+01  0.333772D+02
      2   0.739921D+01  0.135776D+02 -0.436042D+02  0.190674D+01 -0.181775D+02
      3   0.270839D+01  0.138522D+02  0.372748D+01  0.212819D+01 -0.151997D+02
      4  -0.126826D+02 -0.812278D+02  0.276076D+02 -0.258940D+02  0.619743D+02
      5  -0.167012D+02  0.366387D+02  0.488464D+01  0.219265D+01  0.447797D+02
      6  -0.710392D+01 -0.559028D+02  0.206256D+02 -0.633720D+01  0.426595D+02
               161           162           163           164           165 
      1   0.699256D+01  0.757948D+01  0.421655D+02  0.116865D+02  0.145171D+02
      2   0.813702D+00 -0.149880D+02  0.367111D+02  0.548550D+01 -0.126976D+02
      3  -0.780626D+01  0.740855D+01 -0.788766D+02 -0.171720D+02 -0.181946D+01
      4   0.178712D+00  0.213766D+02  0.805036D+02  0.117004D+02 -0.111722D+02
      5   0.193145D+02 -0.787770D+01 -0.326540D+02 -0.220954D+02 -0.257625D+02
      6   0.385223D+01  0.342143D+01 -0.103132D+03 -0.149951D+02 -0.635021D+01
               166           167           168           169           170 
      1   0.160697D+03  0.170082D+02 -0.246245D+02  0.805054D+01 -0.271432D+02
      2  -0.610314D+02  0.105220D+01  0.201304D+02 -0.590659D+01  0.234073D+02
      3  -0.996654D+02 -0.180604D+02  0.449404D+01 -0.214395D+01  0.373589D+01
      4   0.138782D+03  0.129584D+02  0.142500D+02 -0.513172D+02 -0.930589D+01
      5  -0.727086D+02  0.768839D+01  0.205166D+02 -0.701001D+02 -0.185267D+02
      6  -0.503670D+02 -0.437693D+01  0.648342D+01 -0.483292D+02 -0.568705D+01
               171           172           173           174           175 
      1  -0.427105D+02 -0.190266D+02 -0.587025D+02 -0.123547D+02 -0.139254D+03
      2   0.309600D+02 -0.130270D+02  0.362858D+02  0.184156D+02  0.728911D+02
      3   0.117504D+02  0.320536D+02  0.224168D+02 -0.606096D+01  0.663629D+02
      4  -0.204892D+02 -0.615951D+02 -0.367574D+01  0.130315D+02  0.375641D+01
      5  -0.163587D+02 -0.162153D+02  0.220960D+02  0.434014D+02  0.539809D+02
      6  -0.133857D+02  0.107824D+02  0.181735D+01  0.444302D+01  0.163514D+02
               176           177           178           179           180 
      1   0.433524D+01  0.276926D+02 -0.715709D+02  0.197036D+02  0.491180D+02
      2  -0.114044D+02 -0.144692D+02  0.446915D+02 -0.141612D+02 -0.224075D+02
      3   0.706917D+01 -0.132234D+02  0.268794D+02 -0.554239D+01 -0.267105D+02
      4   0.939888D+01 -0.279091D+02 -0.903766D+01 -0.304946D+02  0.314768D+02
      5  -0.256148D+02  0.235396D+02  0.797006D+02  0.248553D+02 -0.191046D+01
      6   0.360065D+00  0.136221D+02  0.238425D+02  0.116903D+02 -0.578647D+01
               181           182           183           184           185 
      1  -0.306609D+02  0.819373D+01  0.768883D+01  0.106010D+02 -0.413963D+02
      2   0.206641D+02 -0.476411D+00 -0.439412D+01  0.815582D+01  0.240274D+02
      3   0.999686D+01 -0.771731D+01 -0.329471D+01 -0.187568D+02  0.173689D+02
      4   0.319170D+02 -0.344857D+02 -0.821733D+01 -0.127069D+03  0.521845D+01
      5   0.161439D+02 -0.109588D+02 -0.190284D+02 -0.284732D+02  0.182906D+02
      6   0.111727D+02 -0.228843D+01 -0.151885D+01 -0.747867D+01 -0.447030D+00
               186           187           188           189           190 
      1  -0.102374D+02  0.111837D+02 -0.782828D+01 -0.316832D+02  0.156872D+03
      2   0.844254D+01 -0.126490D+00  0.750471D+01  0.215348D+02 -0.662855D+02
      3   0.179484D+01 -0.110572D+02  0.323572D+00  0.101484D+02 -0.905862D+02
      4   0.209930D+02 -0.115860D+02  0.131215D+02 -0.252415D+02  0.305538D+02
      5  -0.419471D+02 -0.641511D+02 -0.293151D+02 -0.283568D+01 -0.185508D+02
      6  -0.888205D+01 -0.991258D+01 -0.601417D+01 -0.256628D+00 -0.838082D+02
               191           192           193           194           195 
      1   0.591344D+02 -0.173042D+00  0.439540D+01  0.257005D+02  0.336332D+00
      2  -0.457288D+02  0.676922D+00 -0.353674D+01 -0.620972D+01 -0.177166D+01
      3  -0.134055D+02 -0.503879D+00 -0.858659D+00 -0.194908D+02  0.143533D+01
      4   0.918283D+02 -0.118911D+01 -0.869922D+01  0.694143D+02 -0.104313D+02
      5  -0.274587D+01  0.142857D+02 -0.236353D+02 -0.102683D+02  0.140173D+02
      6   0.325332D+01 -0.141499D+01 -0.352509D+02 -0.104659D+02  0.418844D+01
               196           197           198           199           200 
      1   0.225736D+02 -0.356127D+00  0.184310D+02 -0.130624D+03 -0.124894D+02
      2  -0.150615D+02 -0.690858D-01 -0.190706D+02  0.770857D+02  0.158225D+02
      3  -0.751208D+01  0.425213D+00  0.639534D+00  0.535381D+02 -0.333318D+01
      4   0.213188D+02 -0.105051D+02  0.100035D+02 -0.260762D+02  0.126924D+02
      5   0.510918D+02  0.142109D+02 -0.688907D+01 -0.551114D+02 -0.806570D+01
      6   0.134195D+02  0.938926D+01 -0.921651D+00 -0.146143D+01  0.425064D+01
               201           202           203           204           205 
      1  -0.314244D+02 -0.152860D+02  0.241753D+02 -0.111246D+02  0.281009D+01
      2   0.109305D+02  0.730670D+01 -0.138685D+02 -0.399596D+01 -0.715215D+01
      3   0.204939D+02  0.797933D+01 -0.103068D+02  0.151206D+02  0.434206D+01
      4  -0.535627D+01  0.181397D+02 -0.848142D+01 -0.529308D+01  0.751151D+01
      5   0.112671D+02  0.287035D+01 -0.856109D+00  0.311502D+02  0.263595D+02
      6  -0.222685D+01  0.839582D+00 -0.252550D+01 -0.610005D+00  0.250138D+01
               206           207           208           209           210 
      1  -0.689410D+01  0.231968D+02 -0.177023D+02 -0.252327D+02 -0.280184D+02
      2  -0.582641D+01 -0.700465D+01 -0.104199D+02 -0.491254D+01  0.626267D+01
      3   0.127205D+02 -0.161921D+02  0.281223D+02  0.301452D+02  0.217557D+02
      4   0.245685D+01  0.309547D+02 -0.677868D+02 -0.513722D+02 -0.889081D+01
      5   0.313665D+02 -0.240407D+00 -0.243782D+02 -0.768811D+01  0.178150D+02
      6   0.243205D+01  0.112460D+02 -0.177862D+02 -0.860802D+01  0.146666D+02
               211           212           213           214           215 
      1  -0.625423D+02 -0.389208D+02  0.240859D+01  0.903955D+01  0.207268D+02
      2   0.160878D+02  0.153987D+02 -0.325041D+01 -0.119680D+02 -0.132765D+02
      3   0.464545D+02  0.235220D+02  0.841814D+00  0.292844D+01 -0.745034D+01
      4  -0.904322D+02 -0.258533D+02 -0.238642D+02  0.155965D+02  0.620543D+01
      5  -0.250578D+02 -0.283995D+02 -0.750065D+01  0.389500D+02  0.375340D+01
      6  -0.222418D+02 -0.123589D+02 -0.845325D+01  0.152244D+02 -0.497726D+01
               216           217           218           219           220 
      1   0.413782D+02  0.370198D+02  0.358456D+02  0.837109D+01  0.552147D+02
      2  -0.273360D+02 -0.863311D+01 -0.256957D+02 -0.122866D+02 -0.361119D+02
      3  -0.140422D+02 -0.283867D+02 -0.101499D+02  0.391549D+01 -0.191028D+02
      4   0.898975D+01  0.460704D+02 -0.491905D+01 -0.185914D+02 -0.243766D+02
      5   0.210046D+02  0.302358D+01 -0.313895D+02 -0.272554D+02 -0.347784D+02
      6   0.322157D+01 -0.165606D+02  0.508044D+01  0.574186D+01  0.210685D+02
               221           222           223           224           225 
      1   0.235011D+00 -0.317510D+02  0.101158D+02 -0.252068D+02 -0.250929D+02
      2   0.140041D+02  0.119222D+02 -0.173430D+02  0.673415D+01  0.618532D+01
      3  -0.142391D+02  0.198288D+02  0.722720D+01  0.184726D+02  0.189075D+02
      4  -0.648560D+01  0.380229D+02 -0.881190D+01  0.261349D+02 -0.195039D+02
      5   0.416056D+02 -0.968494D+01 -0.366472D+02 -0.127067D+02  0.691937D+01
      6   0.950017D+01 -0.303177D+02  0.363305D+00 -0.208316D+02  0.121311D+02
               226           227           228           229           230 
      1  -0.634613D+01  0.584371D+02  0.905751D+01  0.136390D+03 -0.146089D+02
      2   0.177357D+02 -0.365581D+02 -0.140902D+02 -0.828509D+02  0.858541D+01
      3  -0.113895D+02 -0.218790D+02  0.503273D+01 -0.535391D+02  0.602351D+01
      4   0.659963D+02 -0.366866D+01 -0.218947D+02 -0.337790D+02 -0.244555D+02
      5   0.172634D+02 -0.261939D+02 -0.333750D+02 -0.499886D+02  0.371661D+02
      6  -0.105831D+02 -0.571136D+00 -0.296851D+01  0.939672D-02  0.123202D+02
               231           232           233           234           235 
      1  -0.411215D+02  0.270020D+02 -0.300928D+02 -0.419038D+02 -0.684289D+01
      2   0.247823D+02 -0.209514D+02  0.181525D+02  0.971966D+01 -0.354296D+02
      3   0.163392D+02 -0.605055D+01  0.119403D+02  0.321841D+02  0.422725D+02
      4   0.356046D+02 -0.116726D+02  0.336360D+02 -0.430657D+02 -0.554954D+02
      5  -0.279857D+02 -0.590299D+02 -0.346459D+02 -0.111825D+02  0.780101D+01
      6  -0.190744D+02 -0.149315D+02 -0.187689D+02  0.353229D+01  0.165688D+02
               236           237           238           239           240 
      1  -0.318873D+02 -0.660274D+01 -0.257682D+02 -0.173814D+02  0.210256D+02
      2   0.532183D+01  0.205189D+02 -0.269813D+01  0.159431D+01 -0.210312D+02
      3   0.265655D+02 -0.139161D+02  0.284663D+02  0.157871D+02  0.565189D-02
      4  -0.419921D+02  0.709676D+01 -0.628137D+02 -0.206400D+02  0.739825D-01
      5   0.157554D+02  0.222332D+02  0.179293D+02 -0.569010D+01 -0.635971D+01
      6   0.156048D+02  0.182516D+02  0.148203D+02 -0.121577D+02 -0.241178D+01
               241           242           243           244           245 
      1  -0.627998D+01  0.190575D+02  0.328368D+02 -0.203631D+02  0.209383D+02
      2   0.116944D+02 -0.248003D+02 -0.108081D+02 -0.748204D+02 -0.198054D+02
      3  -0.541446D+01  0.574274D+01 -0.220287D+02  0.951835D+02 -0.113282D+01
      4   0.165349D+02  0.865858D+00  0.109696D+02  0.352288D+03 -0.366323D+02
      5   0.189154D+02 -0.365614D+01  0.185698D+02  0.784287D+02  0.644887D+01
      6   0.149536D+02 -0.508238D+01  0.240956D+02  0.259038D+03  0.105170D+02
               246           247           248           249           250 
      1  -0.818900D+01 -0.108283D+03 -0.911258D+02  0.215162D+02  0.976061D+01
      2   0.568460D+01  0.114282D+03  0.671774D+02 -0.156276D+02 -0.957794D+01
      3   0.250440D+01 -0.599898D+01  0.239484D+02 -0.588859D+01 -0.182670D+00
      4  -0.915246D+01 -0.219326D+03 -0.144778D+03  0.450803D+02  0.585950D+02
      5  -0.226738D+02  0.623311D+02  0.140166D+02 -0.242903D+02 -0.564172D+01
      6  -0.107353D+01  0.606482D+02  0.710874D+01 -0.190346D+01 -0.365889D+02
               251           252           253           254           255 
      1   0.130461D+02 -0.253781D+02 -0.536931D+01 -0.266724D+02  0.107288D+01
      2  -0.671645D+01  0.124814D+02  0.383278D+02  0.190025D+02  0.723958D+00
      3  -0.632965D+01  0.128966D+02 -0.329585D+02  0.766991D+01 -0.179684D+01
      4   0.167543D+02 -0.333578D+02 -0.271284D+02 -0.450276D+02  0.496797D+01
      5  -0.231767D+02  0.113032D+02  0.562038D+00  0.325135D+01 -0.164011D+02
      6   0.116943D+02 -0.269559D+01 -0.404658D+02  0.554889D+01  0.109208D+02
               256           257           258           259           260 
      1   0.268378D+02  0.511404D+02 -0.130805D+02 -0.112348D+02 -0.275989D+00
      2  -0.940093D+02 -0.421834D+02  0.870125D+01  0.170530D+02 -0.499525D+01
      3   0.671715D+02 -0.895703D+01  0.437923D+01 -0.581820D+01  0.527124D+01
      4   0.181481D+03  0.305104D+02 -0.762304D+01 -0.339046D+02  0.119937D+02
      5  -0.263059D+02 -0.186924D+01 -0.793702D+00 -0.107523D+02  0.117223D+02
      6   0.452636D+02 -0.721091D+01 -0.771887D+01  0.209512D+02 -0.143067D+02
               261           262           263           264           265 
      1  -0.351096D+01  0.223695D+02  0.119673D+02 -0.122377D+02  0.496435D+01
      2  -0.169753D+01 -0.148981D+02 -0.194124D+02  0.681447D+01 -0.400933D+01
      3   0.520849D+01 -0.747138D+01  0.744508D+01  0.542328D+01 -0.955018D+00
      4   0.151154D+02 -0.219389D+02  0.434132D+02  0.575493D+01  0.777204D+01
      5   0.757396D+00 -0.225701D+02  0.265782D+01  0.129412D+02  0.135043D+02
      6   0.288014D+00  0.109301D+02 -0.366548D+01 -0.879133D+01 -0.386294D+01
               266           267           268           269           270 
      1  -0.193373D+02 -0.179991D+01 -0.372221D+01 -0.195877D+02  0.431148D+00
      2   0.311472D+02  0.695520D+01  0.780624D+01  0.244975D+02  0.682262D+00
      3  -0.118099D+02 -0.515529D+01 -0.408403D+01 -0.490987D+01 -0.111341D+01
      4  -0.416474D+02 -0.706693D+01  0.218024D+02 -0.393699D+02 -0.162460D+02
      5  -0.808634D+01 -0.646664D+01  0.307920D+02 -0.142325D+02 -0.303212D+02
      6   0.121926D+02  0.110096D+02 -0.210325D+02  0.208443D+02  0.281167D+02
               271           272           273           274           275 
      1   0.720298D+02 -0.635240D+02  0.865064D+00  0.152018D+03 -0.164002D+02
      2   0.383520D+02  0.541697D+02 -0.312111D+01 -0.104630D+03  0.181348D+02
      3  -0.110382D+03  0.935436D+01  0.225605D+01 -0.473879D+02 -0.173463D+01
      4  -0.159380D+03 -0.121777D+02 -0.244170D+02  0.390319D+03 -0.175091D+02
      5  -0.957601D+02 -0.419694D+01  0.205843D+02  0.217771D+02  0.326975D+01
      6  -0.374564D+03 -0.101884D+02  0.953535D+01  0.119920D+03 -0.603225D+01
               276           277           278           279           280 
      1   0.261178D+01 -0.561893D+01 -0.115709D+01 -0.769458D+01  0.339825D+02
      2  -0.645099D+00 -0.280392D+01  0.302298D+01  0.505488D+01 -0.302306D+02
      3  -0.196668D+01  0.842284D+01 -0.186589D+01  0.263970D+01 -0.375195D+01
      4   0.587079D+01 -0.407771D+02  0.882408D+00 -0.148104D+01 -0.334286D+02
      5  -0.873578D+00  0.327892D+00 -0.531574D+00 -0.123495D+01  0.223970D+02
      6   0.122026D+02 -0.660999D+02  0.891840D+01 -0.444235D+01 -0.170764D+02
               281           282           283           284           285 
      1   0.164605D+02  0.599857D+01  0.776962D+01 -0.544220D+01  0.613965D+01
      2  -0.208509D+02 -0.382536D+01 -0.606161D+01  0.104415D+02 -0.807475D+01
      3   0.439034D+01 -0.217322D+01 -0.170801D+01 -0.499928D+01  0.193510D+01
      4   0.447613D+02 -0.195241D+02  0.118078D+02 -0.210831D+02  0.115606D+02
      5  -0.109689D+02  0.211603D+02 -0.725097D+00  0.102376D+02 -0.211946D+01
      6   0.732443D+01 -0.121714D+02  0.873009D+01 -0.851939D+01  0.777055D+01
               286           287           288           289           290 
      1   0.598134D+01  0.123654D+02 -0.895207D+00 -0.142651D+02 -0.227695D+02
      2  -0.187177D+02 -0.108299D+02 -0.800831D+01  0.192396D+02  0.242956D+02
      3   0.127364D+02 -0.153544D+01  0.890352D+01 -0.497451D+01 -0.152603D+01
      4  -0.239112D+02  0.256791D+02 -0.207894D+02 -0.212643D+02  0.984951D+01
      5   0.278244D+02 -0.141289D+02  0.342054D+02 -0.231002D+01 -0.133295D+01
      6  -0.263226D+02  0.148038D+02 -0.270775D+02 -0.101084D+02 -0.546638D+01
               291           292           293           294           295 
      1   0.611471D+01  0.587336D+01 -0.501019D+02  0.909480D+01 -0.303386D+00
      2  -0.370365D+01  0.104742D+02  0.661763D+02 -0.845519D+01 -0.297584D+01
      3  -0.241106D+01 -0.163476D+02 -0.160744D+02 -0.639616D+00  0.327922D+01
      4  -0.123016D+01 -0.207679D+02 -0.206186D+02  0.441997D+01  0.564587D+01
      5  -0.299405D+00 -0.205628D+01  0.312557D+01 -0.318908D+01  0.200219D+01
      6   0.734620D+01 -0.110470D+02 -0.128548D+02  0.139094D+02  0.600808D+00
               296           297           298           299           300 
      1   0.832984D+01 -0.157674D+02 -0.142880D+02 -0.227615D+02 -0.612064D+01
      2  -0.609155D+01  0.127750D+02  0.192548D+02  0.242871D+02  0.370700D+01
      3  -0.223829D+01  0.299243D+01 -0.496684D+01 -0.152563D+01  0.241364D+01
      4   0.925696D+00 -0.249722D+01 -0.213203D+02  0.985123D+01  0.123921D+01
      5  -0.643740D+01  0.331392D+01  0.230151D+01  0.133009D+01 -0.298868D+00
      6   0.178408D+02 -0.104188D+02  0.100632D+02  0.546970D+01  0.734813D+01
               301           302           303           304           305 
      1   0.583922D+01 -0.500853D+02 -0.910485D+01  0.293001D+00 -0.833160D+01
      2   0.105006D+02  0.661442D+02  0.846172D+01  0.298098D+01  0.609207D+01
      3  -0.163398D+02 -0.160590D+02  0.643126D+00 -0.327398D+01  0.223953D+01
      4  -0.208322D+02 -0.205903D+02 -0.441266D+01 -0.566225D+01 -0.920396D+00
      5   0.202115D+01 -0.312881D+01 -0.318591D+01  0.199795D+01 -0.643203D+01
      6   0.109966D+02  0.128553D+02  0.139055D+02  0.585117D+00  0.178380D+02
               306           307           308           309           310 
      1  -0.157688D+02  0.340932D+02  0.164708D+02 -0.599193D+01  0.771267D+01
      2   0.127707D+02 -0.303036D+02 -0.208581D+02  0.382137D+01 -0.602335D+01
      3   0.299807D+01 -0.378963D+01  0.438732D+01  0.217056D+01 -0.168932D+01
      4  -0.249102D+01 -0.333123D+02  0.447613D+02  0.195347D+02  0.117612D+02
      5  -0.331462D+01 -0.223838D+02  0.109776D+02  0.211606D+02  0.720732D+00
      6   0.104264D+02  0.170100D+02 -0.732847D+01 -0.121761D+02 -0.871781D+01
               311           312           313           314           315 
      1  -0.546241D+01 -0.614020D+01 -0.604247D+01 -0.123597D+02 -0.898921D+00
      2   0.104664D+02  0.807201D+01  0.187449D+02  0.108228D+02 -0.799994D+01
      3  -0.500399D+01 -0.193181D+01 -0.127024D+02  0.153686D+01  0.889886D+01
      4  -0.211108D+02 -0.115653D+02  0.238145D+02 -0.256552D+02 -0.207962D+02
      5  -0.102429D+02 -0.213075D+01  0.278141D+02 -0.141312D+02 -0.341843D+02
      6   0.852150D+01  0.777864D+01 -0.262695D+02  0.148058D+02  0.270724D+02
               316           317           318           319           320 
      1   0.541202D+02  0.259800D+02  0.929245D+01  0.374782D+02  0.189304D+02
      2  -0.178916D+02 -0.256121D+00 -0.390006D+01  0.577373D-01  0.136387D+02
      3  -0.362286D+02 -0.257239D+02 -0.539239D+01 -0.375360D+02 -0.325691D+02
      4   0.685444D+02  0.561766D+02  0.152121D+02  0.858376D+02  0.765030D+02
      5   0.316665D+02  0.180025D+02  0.186363D+02  0.345335D+02  0.272693D+02
      6   0.179042D+02  0.147003D+02  0.863477D+01  0.265476D+02  0.238295D+02
               321           322           323           324           325 
      1   0.386340D+01 -0.886466D+01 -0.285490D+01 -0.625775D-01 -0.123364D+02
      2   0.856564D+00  0.174057D+01 -0.665392D-01  0.109632D+01  0.818074D+01
      3  -0.471996D+01  0.712409D+01  0.292144D+01 -0.103374D+01  0.415570D+01
      4   0.234366D+02 -0.885504D+00  0.809567D+01  0.108327D+02  0.192060D+01
      5   0.193418D+02  0.126709D+02  0.114543D+02  0.792895D+01  0.144139D+01
      6   0.147011D+02  0.689914D+01  0.917737D+01  0.630438D+01  0.438865D+01
               326           327           328           329           330 
      1   0.194532D+02  0.307986D+02  0.532058D+01 -0.897120D+01 -0.107991D+02
      2  -0.986697D+01 -0.772857D+01 -0.441780D+00  0.678571D+01  0.721480D+01
      3  -0.958624D+01 -0.230701D+02 -0.487880D+01  0.218549D+01  0.358430D+01
      4  -0.165249D+01 -0.238301D+01  0.996951D+01  0.103607D+02  0.828972D+01
      5  -0.606122D+01 -0.193418D+02  0.255548D+01  0.920533D+01  0.661278D+01
      6  -0.995505D+01 -0.182362D+02  0.225254D+01  0.102734D+02  0.112325D+02
               331           332           333           334           335 
      1   0.641661D+01 -0.167663D+02 -0.356760D+02  0.194815D+03  0.192623D+01
      2  -0.221760D+01  0.725617D+01  0.365660D+01 -0.117430D+03 -0.830566D+00
      3  -0.419901D+01  0.951014D+01  0.320194D+02 -0.773853D+02 -0.109566D+01
      4   0.326508D+01  0.873623D+01  0.630894D+01  0.994048D+01  0.161112D+02
      5   0.644227D+01  0.114293D+02  0.295813D+02  0.845525D+02  0.489101D+00
      6   0.132686D+01  0.150386D+02  0.234322D+02  0.115569D+01  0.361697D+01
               336           337           338           339           340 
      1   0.408192D+02  0.227698D+01  0.105218D+02  0.125684D+00  0.270964D+02
      2  -0.296150D+02 -0.121446D+01 -0.492832D+01  0.537176D+00 -0.225161D+02
      3  -0.112042D+02 -0.106252D+01 -0.559347D+01 -0.662860D+00 -0.458032D+01
      4   0.451666D+00  0.199320D+02  0.581839D+00  0.626438D+01 -0.159541D+01
      5   0.395302D+02 -0.824186D+00  0.651862D+01 -0.164528D+00  0.323037D+02
      6   0.209939D+01  0.409500D+01  0.837843D+00  0.347408D+01  0.263480D+01
               341           342           343           344           345 
      1   0.860829D-01  0.181951D+02  0.108026D+02 -0.545959D+01  0.165798D+02
      2   0.186678D+01 -0.151651D+02 -0.754346D+01  0.847058D-01 -0.633105D+00
      3  -0.195286D+01 -0.302997D+01 -0.325911D+01  0.537488D+01 -0.159467D+02
      4   0.114134D+01  0.344568D-01 -0.236455D+01 -0.630966D+01  0.595180D+01
      5  -0.660345D+00  0.168241D+02  0.777851D+01  0.400386D+01 -0.130263D+02
      6   0.191228D+01 -0.130045D+00 -0.302660D+00 -0.261210D+01  0.110198D+01
               346           347           348           349           350 
      1  -0.684597D+01 -0.945866D+01  0.789773D+01  0.797819D+01  0.599657D+01
      2   0.813161D+01  0.598566D+00  0.763846D+01 -0.959452D+01  0.606628D+01
      3  -0.128564D+01  0.886010D+01 -0.155362D+02  0.161634D+01 -0.120628D+02
      4   0.472862D+01 -0.160388D+02  0.184177D+02 -0.552776D+01  0.155385D+02
      5  -0.108735D+02  0.156788D+02 -0.295949D+02  0.193855D+02 -0.203326D+02
      6   0.113950D+01 -0.717357D+01  0.889467D+01 -0.152547D+01  0.784457D+01
               351           352           353           354           355 
      1  -0.208844D+02  0.649050D+02 -0.285700D+02 -0.434036D+01 -0.444686D+02
      2  -0.175380D+02 -0.316585D+02  0.127665D+02  0.209587D+01  0.164675D+02
      3   0.384224D+02 -0.332465D+02  0.158034D+02  0.224450D+01  0.280011D+02
      4  -0.231026D+02 -0.357375D+02  0.301980D+02  0.455894D+01  0.603755D+02
      5   0.561275D+02 -0.606610D+01  0.407852D+01  0.123865D+02  0.647183D+01
      6  -0.804760D+01  0.248144D+01 -0.348999D+00 -0.960532D+00 -0.837042D+00
               356           357           358           359           360 
      1   0.185008D+02  0.356764D+01 -0.175438D+02  0.708399D+01  0.100266D+02
      2   0.682219D-01 -0.123109D+01  0.920179D+01 -0.297610D+01 -0.692099D+01
      3  -0.185690D+02 -0.233656D+01  0.834201D+01 -0.410790D+01 -0.310557D+01
      4  -0.542905D+02 -0.574302D+01  0.136941D+02 -0.913000D+01 -0.881180D+01
      5  -0.572849D+01 -0.688139D+01  0.260785D+02 -0.784235D+01 -0.624027D+01
      6   0.593744D+00  0.367690D+01 -0.263246D+01  0.468037D+01  0.965819D+00
               361           362           363           364           365 
      1  -0.432855D+02 -0.181085D+02 -0.146474D+02 -0.187317D+02 -0.112300D+02
      2   0.236697D+02  0.104797D+02 -0.589254D+01  0.114952D+02  0.390418D+01
      3   0.196159D+02  0.762880D+01  0.205400D+02  0.723648D+01  0.732580D+01
      4  -0.234498D+02 -0.101428D+02  0.116057D+01 -0.340645D+01 -0.582482D+01
      5   0.248767D+02  0.109182D+02 -0.137147D+02  0.127448D+02 -0.207203D+01
      6   0.633588D+01  0.570310D+01 -0.963181D-01  0.949206D+00  0.337566D+01
               366           367           368           369           370 
      1  -0.190434D+01  0.136744D+01  0.438774D+00 -0.108197D+02  0.167056D+01
      2  -0.426197D+01 -0.766926D+01 -0.300351D+01  0.424900D+01 -0.402080D+01
      3   0.616630D+01  0.630182D+01  0.256473D+01  0.657068D+01  0.235023D+01
      4  -0.637828D+01  0.498241D+01 -0.204400D+01 -0.457113D+01  0.927785D+00
      5  -0.626320D+01 -0.777866D+01 -0.401732D+01  0.474579D+01 -0.111842D+02
      6   0.574791D+01 -0.400607D+00  0.324540D+01  0.687671D+00 -0.340559D+01
               371           372           373           374           375 
      1   0.345827D+01 -0.860109D+01  0.109662D+01 -0.127950D+02  0.189433D+02
      2  -0.103613D+01  0.546688D+01 -0.704356D+01  0.319240D+01  0.760435D+01
      3  -0.242214D+01  0.313421D+01  0.594694D+01  0.960257D+01 -0.265476D+02
      4   0.460095D+01 -0.109892D+01  0.172344D+02  0.298230D+02 -0.255787D+02
      5  -0.970110D+00  0.105806D+02 -0.208079D+02 -0.272764D+02  0.425312D+02
      6  -0.156174D+01  0.163594D+00 -0.141063D+02 -0.266601D+02  0.293197D+02
               376           377           378           379           380 
      1  -0.266490D+01  0.118923D+02 -0.183158D+02  0.382496D+02 -0.162403D+02
      2   0.109257D+02  0.296307D+01 -0.143582D+02 -0.336394D+02  0.137738D+02
      3  -0.826079D+01 -0.148554D+02  0.326740D+02 -0.461015D+01  0.246652D+01
      4  -0.881375D+01 -0.190667D+02  0.210803D+02 -0.246389D+02  0.191071D+02
      5   0.257820D+02  0.217454D+02 -0.457348D+02 -0.488513D+02  0.210051D+02
      6   0.913115D+01  0.207346D+02 -0.255553D+02  0.106764D+02 -0.904613D+01
               381           382           383           384           385 
      1  -0.167618D+02 -0.282187D+02  0.100264D+02  0.107940D+02 -0.112508D+02
      2   0.232326D+02  0.264869D+02 -0.126248D+02 -0.199898D+02  0.202668D+02
      3  -0.647087D+01  0.173176D+01  0.259838D+01  0.919580D+01 -0.901602D+01
      4   0.154167D+02  0.288670D+02 -0.272999D+02 -0.249474D+02  0.128241D+02
      5   0.417484D+02  0.411688D+02 -0.289579D+02 -0.358324D+02  0.370565D+02
      6  -0.661004D+01 -0.161154D+02  0.134929D+02  0.154199D+02 -0.714318D+01
               386           387           388           389           390 
      1   0.471036D+01  0.781554D+01  0.501732D+02  0.999661D+01  0.220961D+02
      2  -0.881137D+01 -0.210677D+02 -0.209337D+02 -0.801680D+00 -0.717257D+01
      3   0.410101D+01  0.132521D+02 -0.292395D+02 -0.919493D+01 -0.149236D+02
      4  -0.141297D+02 -0.127704D+02  0.192455D+02  0.155540D+02  0.139490D+02
      5  -0.152807D+02 -0.372722D+02  0.213715D+02  0.101659D+02  0.207766D+02
      6   0.100393D+02  0.722600D+01  0.621380D+01  0.216228D+01  0.417318D+01
               391           392           393           394           395 
      1   0.133105D+02  0.136872D+02  0.117288D+02  0.634968D+02  0.191588D+02
      2   0.371914D+00 -0.125505D+01 -0.221653D+01 -0.251923D+02 -0.368111D+01
      3  -0.136824D+02 -0.124322D+02 -0.951227D+01 -0.383045D+02 -0.154777D+02
      4   0.269479D+02  0.202952D+02  0.875853D+01  0.321091D+02  0.194796D+02
      5   0.125314D+02  0.573357D+01  0.154483D+02  0.247114D+02  0.143603D+02
      6   0.121162D+01  0.119565D+01  0.664931D+01  0.546821D+01  0.510000D+01
               396           397           398           399           400 
      1   0.221770D+02  0.126795D+03 -0.293119D+02 -0.296673D+02 -0.117397D+03
      2  -0.551907D+01 -0.775406D+02  0.190002D+02  0.213702D+02  0.718286D+02
      3  -0.166579D+02 -0.492540D+02  0.103117D+02  0.829715D+01  0.455687D+02
      4   0.185812D+02 -0.235327D+02  0.184142D+02  0.689354D+01  0.329556D+02
      5   0.473271D+02 -0.468591D+02  0.118745D+02  0.272604D+02  0.476709D+02
      6   0.109252D+02  0.493472D+01 -0.182203D+01  0.110843D+01 -0.407645D+01
               401           402           403           404           405 
      1   0.273543D+02  0.265370D+02 -0.526795D+02  0.105154D+02  0.268883D+02
      2  -0.177630D+02 -0.201539D+02  0.373018D+02 -0.905398D+01 -0.197685D+02
      3  -0.959125D+01 -0.638309D+01  0.153777D+02 -0.146141D+01 -0.711981D+01
      4  -0.239426D+02 -0.136748D+02  0.714675D+01 -0.126823D+02 -0.199694D+01
      5  -0.163217D+02 -0.221259D+02  0.492534D+02 -0.469007D+01 -0.241490D+02
      6   0.338275D+01  0.321963D+01  0.305183D+01  0.469331D+01 -0.679841D+00
               406           407           408           409           410 
      1   0.175826D+02  0.653011D+01 -0.992711D+01  0.256613D+02  0.889529D+01
      2  -0.831011D+01 -0.153197D+01  0.520254D+01 -0.589967D+01  0.937698D+01
      3  -0.927251D+01 -0.499814D+01  0.472456D+01 -0.197616D+02 -0.182723D+02
      4   0.102547D+02  0.109277D+02 -0.484713D+01  0.551840D+02  0.635301D+02
      5  -0.146713D+02 -0.453332D+01  0.914018D+01 -0.304733D+02 -0.375154D+02
      6  -0.576411D+01 -0.255871D+01  0.188003D+01 -0.184656D+02 -0.253185D+02
               411           412           413           414           415 
      1  -0.764792D+00 -0.327105D+02 -0.169227D+01  0.854207D+01 -0.125164D+02
      2  -0.230196D+01  0.182397D+02 -0.301050D+01 -0.707287D+01  0.147202D+02
      3   0.306676D+01  0.144708D+02  0.470277D+01 -0.146920D+01 -0.220385D+01
      4  -0.366969D+02 -0.325843D+02 -0.397862D+02  0.337150D+02 -0.802223D+01
      5   0.358856D+02  0.435818D+02  0.335909D+02 -0.404557D+02  0.299632D+01
      6   0.203696D+02  0.176690D+02  0.204956D+02 -0.200815D+02  0.258799D+01
               416           417           418           419           420 
      1   0.345129D+02  0.968681D+01  0.806093D+01 -0.308981D+02 -0.108622D+02
      2  -0.379416D+02 -0.119193D+02 -0.598001D+01  0.419933D+02  0.129601D+02
      3   0.342878D+01  0.223253D+01 -0.208093D+01 -0.110952D+02 -0.209798D+01
      4  -0.176757D+01  0.117666D+01 -0.764823D-01  0.106637D+02  0.238646D+01
      5  -0.686517D+01 -0.899686D+01 -0.320273D+01  0.849142D+01  0.426431D+01
      6  -0.521884D+01 -0.119635D+02 -0.254728D+01  0.698850D+01  0.740649D+01
               421           422           423           424           425 
      1   0.722932D+01 -0.234875D+02 -0.175941D+02  0.349202D+02  0.808185D+01
      2  -0.469907D+01  0.304954D+02  0.141470D+02  0.122036D+02  0.265156D+02
      3  -0.253025D+01 -0.700792D+01  0.344706D+01 -0.471238D+02 -0.345974D+02
      4   0.564659D+01  0.110955D+02 -0.708290D-01  0.841224D+02  0.666815D+02
      5  -0.406575D+01  0.781139D+01  0.771475D+01 -0.155358D+02 -0.111089D+02
      6  -0.473969D+01  0.106305D+02  0.984763D+01 -0.125924D+02 -0.111362D+02
               426           427           428           429           430 
      1   0.317300D+00  0.878286D+01 -0.766216D+00 -0.125686D+01  0.177506D+01
      2  -0.335249D+01  0.207038D+02  0.351409D+02 -0.724121D+00  0.240886D+00
      3   0.303519D+01 -0.294867D+02 -0.343747D+02  0.198098D+01 -0.201594D+01
      4  -0.826923D+01  0.617045D+02  0.636971D+02 -0.712626D+01 -0.222832D+01
      5   0.924567D+01 -0.869039D+01 -0.787154D+01  0.814376D+01  0.867897D+01
      6   0.804486D+01 -0.535342D+01 -0.906556D+01  0.819176D+01  0.727380D+01
               431           432           433           434           435 
      1  -0.164243D+01 -0.161434D+01 -0.614612D+01  0.130605D+02 -0.145031D+02
      2   0.280635D+01  0.286891D+01  0.512840D+01 -0.970209D+01  0.258057D+01
      3  -0.116392D+01 -0.125456D+01  0.101772D+01 -0.335840D+01  0.119225D+02
      4  -0.109242D+01  0.845453D+01 -0.969344D+00  0.817730D+00 -0.348134D+01
      5   0.854604D+01 -0.453312D+01 -0.107285D+01  0.160543D+01 -0.921850D+01
      6   0.913797D+01 -0.493724D+01 -0.364931D+01  0.519766D+01 -0.155927D+02
               436           437           438           439           440 
      1  -0.739332D+00 -0.522169D+01  0.311548D+01 -0.209683D+01  0.190710D+02
      2   0.176780D+01  0.346526D+01 -0.489007D+01 -0.705234D-01 -0.167035D+02
      3  -0.102847D+01  0.175643D+01  0.177459D+01  0.216735D+01 -0.236743D+01
      4   0.443789D+00 -0.120684D+01 -0.393040D+01 -0.497514D+01 -0.123591D+02
      5  -0.102418D+01 -0.431297D+01  0.109712D+01  0.530886D+01  0.116640D+02
      6  -0.328119D+00 -0.446242D+01  0.644638D+01  0.791003D+00  0.204423D+02
               441           442           443           444           445 
      1  -0.352735D+02  0.161643D+01  0.348222D+01  0.860551D+01  0.107347D+01
      2   0.432809D+01 -0.396582D+01 -0.103220D+01 -0.542552D+01 -0.700441D+01
      3   0.309454D+02  0.234939D+01 -0.245002D+01 -0.317999D+01  0.593094D+01
      4   0.131215D+01  0.880613D+00  0.453085D+01  0.104480D+01  0.171554D+02
      5  -0.351305D+02  0.110882D+02  0.920134D+00  0.104745D+02  0.207113D+02
      6  -0.413429D+02  0.337129D+01  0.150893D+01  0.105507D+00  0.140592D+02
               446           447           448           449           450 
      1  -0.129055D+02 -0.190332D+02  0.262986D+01 -0.119486D+02 -0.183681D+02
      2   0.326857D+01 -0.754331D+01 -0.108579D+02 -0.291677D+01 -0.142695D+02
      3   0.963692D+01  0.265765D+02  0.822804D+01  0.148654D+02  0.326376D+02
      4   0.298391D+02  0.255437D+02  0.873317D+01  0.190310D+02  0.210174D+02
      5   0.272265D+02  0.424372D+02  0.256502D+02  0.216698D+02  0.455659D+02
      6   0.266962D+02  0.293247D+02  0.907321D+01  0.207323D+02  0.255217D+02
               451           452           453           454           455 
      1  -0.431968D+02 -0.180830D+02  0.145875D+02 -0.187412D+02 -0.112618D+02
      2   0.236445D+02  0.104818D+02  0.589063D+01  0.115230D+02  0.393074D+01
      3   0.195523D+02  0.760117D+01 -0.204782D+02  0.721813D+01  0.733107D+01
      4  -0.234467D+02 -0.101470D+02 -0.119541D+01 -0.345140D+01 -0.582398D+01
      5  -0.248956D+02 -0.109422D+02 -0.136886D+02 -0.127852D+02  0.204617D+01
      6  -0.636711D+01 -0.571320D+01 -0.105088D+00 -0.957609D+00 -0.337583D+01
               456           457           458           459           460 
      1   0.189081D+01 -0.143163D+01 -0.459392D+00 -0.107697D+02  0.381548D+02
      2   0.428263D+01  0.770968D+01  0.302098D+01  0.426531D+01 -0.336214D+02
      3  -0.617345D+01 -0.627805D+01 -0.256158D+01  0.650435D+01 -0.453342D+01
      4   0.636060D+01 -0.502462D+01  0.203329D+01 -0.458000D+01 -0.245693D+02
      5  -0.629693D+01 -0.783070D+01 -0.404141D+01 -0.479072D+01  0.488651D+02
      6   0.574045D+01 -0.413874D+00  0.323447D+01 -0.695548D+00 -0.106537D+02
               461           462           463           464           465 
      1  -0.161679D+02  0.167333D+02 -0.280960D+02  0.993747D+01 -0.107566D+02
      2   0.137502D+02 -0.232641D+02  0.264456D+02 -0.125935D+02  0.200084D+02
      3   0.241772D+01  0.653077D+01  0.165041D+01  0.265604D+01 -0.925186D+01
      4   0.190490D+02 -0.154228D+02  0.287641D+02 -0.272048D+02  0.249337D+02
      5  -0.209972D+02  0.418171D+02 -0.411412D+02  0.289253D+02 -0.358690D+02
      6   0.902517D+01 -0.661371D+01  0.160784D+02 -0.134567D+02  0.154236D+02
               466           467           468           469           470 
      1   0.112679D+02 -0.470454D+01  0.780129D+01  0.175210D+02  0.653597D+01
      2  -0.203398D+02  0.883495D+01 -0.211636D+02 -0.827853D+01 -0.154023D+01
      3   0.907190D+01 -0.413040D+01  0.133623D+02 -0.924242D+01 -0.499574D+01
      4  -0.128370D+02  0.141465D+02 -0.128127D+02  0.102230D+02  0.109058D+02
      5   0.371722D+02 -0.153260D+02  0.374473D+02  0.146421D+02  0.451568D+01
      6  -0.715463D+01  0.100510D+02 -0.724999D+01  0.574863D+01  0.255357D+01
               471           472           473           474           475 
      1   0.990566D+01  0.256754D+02  0.886962D+01  0.752202D+00  0.326552D+02
      2  -0.519560D+01 -0.592865D+01  0.936494D+01  0.229002D+01 -0.182369D+02
      3  -0.471007D+01 -0.197468D+02 -0.182346D+02 -0.304223D+01 -0.144184D+02
      4   0.482296D+01  0.551689D+02  0.635281D+02  0.367178D+02  0.325247D+02
      5   0.913245D+01  0.304936D+02  0.375413D+02  0.358966D+02  0.435990D+02
      6   0.187195D+01  0.184815D+02  0.253406D+02  0.203851D+02  0.176631D+02
               476           477           478           479           480 
      1   0.165515D+01  0.854387D+01  0.126371D+03 -0.292888D+02  0.296815D+02
      2   0.300814D+01 -0.709774D+01 -0.773282D+02  0.189896D+02 -0.213959D+02
      3  -0.466329D+01 -0.144613D+01 -0.490424D+02  0.102992D+02 -0.828559D+01
      4   0.397681D+02  0.336972D+02 -0.235572D+02  0.184023D+02 -0.693535D+01
      5   0.335750D+02  0.404686D+02  0.468897D+02 -0.119183D+02  0.273013D+02
      6   0.204986D+02  0.200854D+02 -0.494071D+01  0.182574D+01  0.109806D+01
               481           482           483           484           485 
      1  -0.117265D+03  0.273456D+02 -0.266044D+02  0.527508D+02 -0.105596D+02
      2   0.717890D+02 -0.177707D+02  0.202201D+02 -0.373876D+02  0.909196D+01
      3   0.454765D+02 -0.957497D+01  0.638432D+01 -0.153632D+02  0.146763D+01
      4   0.330020D+02 -0.239789D+02  0.137378D+02 -0.721380D+01  0.127287D+02
      5  -0.478110D+02  0.163876D+02 -0.222230D+02  0.493755D+02 -0.474393D+01
      6   0.410327D+01 -0.340048D+01  0.323542D+01  0.303446D+01  0.470283D+01
               486           487           488           489           490 
      1   0.269429D+02  0.504303D+02  0.100467D+02 -0.221638D+02  0.133386D+02
      2  -0.198402D+02 -0.210423D+02 -0.819693D+00  0.719358D+01  0.356248D+00
      3  -0.710270D+01 -0.293880D+02 -0.922699D+01  0.149702D+02 -0.136948D+02
      4  -0.204576D+01  0.193152D+02  0.155797D+02 -0.139523D+02  0.269445D+02
      5   0.242785D+02 -0.213932D+02 -0.101598D+02  0.208200D+02 -0.125186D+02
      6   0.675071D+00 -0.620982D+01 -0.215384D+01  0.417415D+01 -0.119394D+01
               491           492           493           494           495 
      1   0.137000D+02 -0.117438D+02 -0.635868D+02 -0.191658D+02  0.222379D+02
      2  -0.128077D+01  0.223691D+01  0.252315D+02  0.370102D+01 -0.555552D+01
      3  -0.124192D+02  0.950692D+01  0.383553D+02  0.154647D+02 -0.166824D+02
      4   0.202508D+02 -0.871769D+01 -0.320883D+02 -0.194293D+02  0.185210D+02
      5  -0.568834D+01  0.153823D+02  0.246984D+02  0.142910D+02 -0.472557D+02
      6  -0.117688D+01  0.663038D+01  0.545066D+01  0.507540D+01 -0.108926D+02
               496           497           498           499           500 
      1   0.195100D+03  0.183711D+01 -0.407359D+02  0.218279D+01  0.105373D+02
      2  -0.117529D+03 -0.778074D+00  0.295377D+02 -0.116127D+01 -0.493624D+01
      3  -0.775703D+02 -0.105904D+01  0.111982D+02 -0.102152D+01 -0.560108D+01
      4   0.978775D+01  0.161105D+02 -0.407751D+00  0.199095D+02  0.556329D+00
      5  -0.843858D+02 -0.440794D+00  0.394322D+02  0.873954D+00 -0.650409D+01
      6  -0.110915D+01 -0.360826D+01  0.208052D+01 -0.409544D+01 -0.826761D+00
               501           502           503           504           505 
      1  -0.101064D+00 -0.269013D+02 -0.713923D-01  0.181446D+02  0.108446D+02
      2  -0.552490D+00  0.223696D+02 -0.187643D+01 -0.151062D+02 -0.755779D+01
      3   0.653553D+00  0.453174D+01  0.194782D+01 -0.303847D+01 -0.328683D+01
      4  -0.624950D+01  0.165596D+01 -0.112220D+01  0.127176D-01 -0.237029D+01
      5  -0.186261D+00  0.321683D+02 -0.681006D+00 -0.167143D+02 -0.777071D+01
      6   0.346639D+01  0.262722D+01  0.190356D+01  0.144303D+00  0.311112D+00
               506           507           508           509           510 
      1  -0.546938D+01 -0.165364D+02 -0.687614D+01 -0.944187D+01 -0.786357D+01
      2   0.100654D+00  0.633671D+00  0.815429D+01  0.592264D+00 -0.764580D+01
      3   0.536873D+01  0.159027D+02 -0.127815D+01  0.884960D+01  0.155094D+02
      4  -0.630226D+01 -0.593180D+01  0.474818D+01 -0.160636D+02 -0.184468D+02
      5  -0.398922D+01 -0.130092D+02  0.109073D+02 -0.157124D+02 -0.296241D+02
      6   0.260678D+01  0.110048D+01 -0.115082D+01  0.718106D+01  0.890480D+01
               511           512           513           514           515 
      1  -0.796675D+01 -0.597244D+01 -0.208356D+02 -0.122916D+02  0.194388D+02
      2   0.960097D+01 -0.608061D+01 -0.175539D+02  0.816026D+01 -0.985116D+01
      3  -0.163422D+01  0.120531D+02  0.383895D+02  0.413131D+01 -0.958761D+01
      4   0.555594D+01 -0.155703D+02 -0.231330D+02  0.193042D+01 -0.165986D+01
      5   0.194271D+02 -0.203721D+02 -0.562023D+02 -0.144766D+01  0.607265D+01
      6  -0.154992D+01  0.785777D+01  0.806646D+01 -0.438219D+01  0.994817D+01
               516           517           518           519           520 
      1  -0.307843D+02  0.532325D+01 -0.896181D+01  0.108084D+02 -0.639280D+01
      2   0.771049D+01 -0.446146D+00  0.677078D+01 -0.721101D+01  0.221187D+01
      3   0.230738D+02 -0.487710D+01  0.219103D+01 -0.359742D+01  0.418094D+01
      4   0.240456D+01  0.997649D+01  0.103679D+02 -0.831217D+01 -0.326287D+01
      5  -0.193794D+02 -0.256336D+01 -0.922512D+01  0.664329D+01  0.647539D+01
      6  -0.182364D+02 -0.225857D+01 -0.102777D+02  0.112532D+02  0.134852D+01
               521           522           523           524           525 
      1   0.167847D+02 -0.357243D+02  0.542881D+02  0.260515D+02 -0.931789D+01
      2  -0.725290D+01  0.363400D+01 -0.179781D+02 -0.296440D+00  0.391300D+01
      3  -0.953178D+01  0.320903D+02 -0.363100D+02 -0.257551D+02  0.540489D+01
      4  -0.876200D+01  0.635387D+01  0.686371D+02  0.562022D+02 -0.152098D+02
      5   0.114756D+02 -0.297168D+02 -0.316794D+02 -0.179996D+02  0.186409D+02
      6   0.150610D+02 -0.234920D+02 -0.178866D+02 -0.146864D+02  0.862570D+01
               526           527           528           529           530 
      1   0.375993D+02  0.190226D+02 -0.389768D+01  0.886035D+01  0.285502D+01
      2  -0.197972D-01  0.135564D+02 -0.825362D+00 -0.173166D+01  0.797954D-01
      3  -0.375795D+02 -0.325790D+02  0.472304D+01 -0.712868D+01 -0.293481D+01
      4   0.858355D+02  0.764500D+02 -0.234110D+02  0.858052D+00 -0.804309D+01
      5  -0.345278D+02 -0.272385D+02  0.193367D+02  0.126424D+02  0.114384D+02
      6  -0.265187D+02 -0.237758D+02  0.146777D+02  0.686828D+01  0.915125D+01
               531           532           533           534           535 
      1  -0.609985D-01  0.647272D+02 -0.285314D+02  0.434187D+01 -0.444213D+02
      2   0.109015D+01 -0.315590D+02  0.127456D+02 -0.209565D+01  0.164425D+02
      3  -0.102915D+01 -0.331683D+02  0.157858D+02 -0.224622D+01  0.279788D+02
      4   0.108213D+02 -0.357093D+02  0.301829D+02 -0.458471D+01  0.603363D+02
      5  -0.790795D+01  0.610237D+01 -0.410486D+01  0.123833D+02 -0.652430D+01
      6  -0.628943D+01 -0.247379D+01  0.360338D+00 -0.962314D+00  0.870579D+00
               536           537           538           539           540 
      1   0.184708D+02 -0.358254D+01  0.175499D+02 -0.709908D+01  0.100201D+02
      2   0.937023D-01  0.123561D+01 -0.920593D+01  0.298044D+01 -0.691793D+01
      3  -0.185645D+02  0.234693D+01 -0.834401D+01  0.411864D+01 -0.310216D+01
      4  -0.543304D+02  0.577846D+01 -0.137447D+02  0.918198D+01 -0.883397D+01
      5   0.577309D+01 -0.689683D+01  0.260930D+02 -0.786412D+01  0.628052D+01
      6  -0.613758D+00  0.368420D+01 -0.264345D+01  0.468940D+01 -0.973293D+00
               541           542           543           544           545 
      1   0.350126D+02  0.812680D+01 -0.292169D+00  0.881524D+01 -0.714082D+00
      2   0.121504D+02  0.264884D+02  0.334220D+01  0.206568D+02  0.350542D+02
      3  -0.471630D+02 -0.346152D+02 -0.305004D+01 -0.294720D+02 -0.343401D+02
      4   0.841954D+02  0.667170D+02  0.828583D+01  0.617001D+02  0.636389D+02
      5   0.155612D+02  0.111125D+02  0.925540D+01  0.869753D+01  0.786759D+01
      6   0.126081D+02  0.111377D+02  0.804144D+01  0.536407D+01  0.905290D+01
               546           547           548           549           550 
      1   0.126882D+01 -0.174896D+01  0.164218D+01 -0.161214D+01 -0.124717D+02
      2   0.717733D+00 -0.225994D+00 -0.277800D+01  0.287872D+01  0.146834D+02
      3  -0.198655D+01  0.197495D+01  0.113582D+01 -0.126658D+01 -0.221171D+01
      4   0.713090D+01  0.229487D+01  0.114505D+01  0.846598D+01 -0.797601D+01
      5   0.814725D+01  0.869798D+01  0.856123D+01  0.453872D+01 -0.297199D+01
      6   0.819241D+01  0.728483D+01  0.915226D+01  0.494214D+01 -0.259459D+01
               551           552           553           554           555 
      1   0.344901D+02 -0.971698D+01  0.804143D+01 -0.309329D+02  0.109094D+02
      2  -0.379135D+02  0.119485D+02 -0.595235D+01  0.420477D+02 -0.130190D+02
      3   0.342338D+01 -0.223150D+01 -0.208908D+01 -0.111148D+02  0.210967D+01
      4  -0.178024D+01 -0.115263D+01 -0.504768D-01  0.107229D+02 -0.240835D+01
      5   0.687954D+01 -0.900672D+01  0.319379D+01 -0.852096D+01  0.429649D+01
      6   0.526168D+01 -0.119767D+02  0.253751D+01 -0.704310D+01  0.744487D+01
               556           557           558           559           560 
      1  -0.722359D+01  0.235551D+02 -0.176532D+02 -0.616440D+01  0.131046D+02
      2   0.469511D+01 -0.305787D+02  0.142140D+02  0.513500D+01 -0.975205D+01
      3   0.252848D+01  0.702356D+01  0.343916D+01  0.102940D+01 -0.335252D+01
      4  -0.564264D+01 -0.111463D+02 -0.386134D-01 -0.100319D+01  0.790222D+00
      5  -0.406280D+01  0.785729D+01 -0.777151D+01  0.107423D+01 -0.161664D+01
      6  -0.473460D+01  0.106912D+02 -0.991451D+01  0.365677D+01 -0.521916D+01
               561           562           563           564           565 
      1   0.145341D+02 -0.731802D+00 -0.525125D+01 -0.313713D+01  0.212033D+01
      2  -0.260549D+01  0.175331D+01  0.349058D+01  0.489435D+01  0.765130D-01
      3  -0.119286D+02 -0.102151D+01  0.176066D+01 -0.175722D+01 -0.219685D+01
      4   0.349021D+01  0.435648D+00 -0.120483D+01  0.392986D+01  0.498238D+01
      5  -0.924979D+01  0.102434D+01  0.431769D+01  0.112278D+01  0.526344D+01
      6  -0.156290D+02  0.315543D+00  0.447699D+01  0.647253D+01  0.747606D+00
               566           567 
      1  -0.190782D+02 -0.352608D+02
      2   0.167248D+02  0.439776D+01
      3   0.235337D+01  0.308631D+02
      4   0.123595D+02  0.129420D+01
      5   0.116617D+02  0.350534D+02
      6   0.204438D+02  0.412752D+02
 Leave Link  716 at Sun Aug 29 07:43:11 2021, MaxMem= 16106127360 cpu:               8.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.742648D+03  0.408928D+02 -0.448472D-01
      2   0.408928D+02  0.358835D+03 -0.232349D-02
      3  -0.448472D-01 -0.232349D-02  0.264345D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106658D+03  0.226393D+02  0.578173D-01
      2  -0.284061D+02  0.386511D+02  0.311791D-01
      3   0.692380D+00 -0.525728D-02 -0.126427D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256087D+00  0.301334D-01 -0.350685D+01
      2  -0.212239D+00  0.146947D-01 -0.115545D+03
      3  -0.438471D-01 -0.448281D-01  0.119051D+03
      4  -0.203816D+00 -0.619366D-01  0.870884D+02
      5   0.182482D+03  0.988025D+02  0.401962D-01
      6   0.145704D+03  0.490818D+02 -0.135124D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.804138D+01  0.289459D+00  0.183179D+01  0.722133D+01  0.230142D+01
      2   0.289459D+00  0.919356D+00  0.576330D+00  0.230142D+01 -0.845493D+00
      3   0.183179D+01  0.576330D+00  0.177067D+01 -0.839961D+00  0.597911D+00
                 6             7             8             9            10 
      1  -0.839961D+00 -0.124652D+02 -0.146832D+01  0.253522D+01 -0.458133D+02
      2   0.597911D+00 -0.146832D+01 -0.709904D+00  0.329003D+01 -0.189751D+01
      3   0.334844D+01  0.253522D+01  0.329003D+01  0.811569D+00 -0.296536D+00
                11            12            13            14            15 
      1  -0.189751D+01 -0.296536D+00  0.329992D+02 -0.111609D+01 -0.152642D+01
      2  -0.365392D+01  0.654398D+00 -0.111609D+01  0.470666D-01 -0.216135D+01
      3   0.654398D+00 -0.189796D+01 -0.152642D+01 -0.216135D+01 -0.426551D+01
                16            17            18            19            20 
      1  -0.211361D+01  0.709087D+00 -0.532656D+01  0.232974D+03  0.120383D+02
      2   0.709087D+00 -0.534369D+00 -0.252473D+01  0.120383D+02  0.101777D+02
      3  -0.532656D+01 -0.252473D+01  0.103377D+00 -0.334794D+00  0.179297D+01
                21            22            23            24            25 
      1  -0.334794D+00  0.103364D+03  0.303474D+02 -0.617499D+01  0.482843D+02
      2   0.179297D+01  0.303474D+02  0.921404D+01  0.181781D+01  0.646483D+01
      3   0.107244D+01 -0.617499D+01  0.181781D+01  0.124506D+01  0.140183D+01
                26            27            28            29            30 
      1   0.646483D+01  0.140183D+01 -0.595472D+03 -0.219239D+02 -0.126917D+02
      2   0.146809D+01  0.155921D+01 -0.219239D+02  0.226472D+01  0.392897D+00
      3   0.155921D+01  0.940893D+00 -0.126917D+02  0.392897D+00  0.166531D+00
                31            32            33            34            35 
      1   0.127015D+03 -0.235936D+02 -0.219653D+01  0.649543D+02 -0.381806D+01
      2  -0.235936D+02  0.620323D+01 -0.149282D+00 -0.381806D+01  0.652924D+00
      3  -0.219653D+01 -0.149282D+00  0.133389D+01  0.397339D+01  0.297790D+01
                36            37            38            39            40 
      1   0.397339D+01  0.254445D+03  0.245221D+02 -0.222591D+01  0.156139D+03
      2   0.297790D+01  0.245221D+02  0.171409D+01  0.148483D+01  0.278308D+02
      3   0.138227D+01 -0.222591D+01  0.148483D+01 -0.305970D+01  0.348685D+01
                41            42            43            44            45 
      1   0.278308D+02  0.348685D+01 -0.797487D+02  0.468628D+01 -0.411369D+01
      2   0.229833D+01 -0.175492D+01  0.468628D+01  0.621727D+00 -0.141695D+01
      3  -0.175492D+01  0.206647D+01 -0.411369D+01 -0.141695D+01  0.210311D+01
                46            47            48            49            50 
      1  -0.103897D+02 -0.776214D+01  0.198244D+01 -0.223304D+02 -0.107776D+02
      2  -0.776214D+01 -0.431308D+01 -0.260266D-01 -0.107776D+02 -0.126001D+01
      3   0.198244D+01 -0.260266D-01  0.306867D+01  0.239014D+01  0.269370D+01
                51            52            53            54            55 
      1   0.239014D+01 -0.806161D+01 -0.484140D+01  0.459530D+01 -0.818281D+01
      2   0.269370D+01 -0.484140D+01 -0.638878D+00 -0.371359D+00 -0.754734D+01
      3  -0.992327D+00  0.459530D+01 -0.371359D+00 -0.123096D+01  0.237517D+01
                56            57            58            59            60 
      1  -0.754734D+01  0.237517D+01 -0.747453D+02 -0.786307D+01 -0.171113D+01
      2  -0.885063D-01 -0.149841D+01 -0.786307D+01  0.388505D+00  0.293269D+01
      3  -0.149841D+01  0.424768D+01 -0.171113D+01  0.293269D+01  0.283254D+01
                61            62            63            64            65 
      1   0.380840D+02  0.175890D+01  0.665477D+01  0.103785D+04  0.416565D+02
      2   0.175890D+01  0.369061D+01  0.255087D+01  0.416565D+02 -0.134956D+01
      3   0.665477D+01  0.255087D+01 -0.944611D+00  0.490464D+01 -0.165560D+01
                66            67            68            69            70 
      1   0.490464D+01  0.112720D+03  0.227147D+02  0.261793D+02  0.200430D+03
      2  -0.165560D+01  0.227147D+02  0.735665D+01  0.216276D+01  0.789573D+01
      3   0.161202D+01  0.261793D+02  0.216276D+01  0.101642D+01  0.621474D+01
                71            72            73            74            75 
      1   0.789573D+01  0.621474D+01  0.185228D+00  0.335059D-01 -0.194546D+01
      2   0.384564D+00  0.140374D+01  0.335059D-01  0.121261D-02  0.579336D+00
      3   0.140374D+01  0.647953D-01 -0.194546D+01  0.579336D+00  0.183895D-02
                76            77            78            79            80 
      1  -0.274903D+01  0.275712D-01 -0.674561D+02 -0.177133D+03 -0.172216D+02
      2   0.275712D-01  0.632789D-02 -0.502667D+00 -0.172216D+02 -0.429949D+00
      3  -0.674561D+02 -0.502667D+00  0.273012D-01  0.414253D-01  0.375337D-02
                81            82            83            84            85 
      1   0.414253D-01  0.895595D+03  0.130660D+02 -0.621020D+01 -0.273146D+03
      2   0.375337D-02  0.130660D+02 -0.940425D+00 -0.148979D+01  0.725638D+01
      3  -0.315957D+00 -0.621020D+01 -0.148979D+01  0.136569D+01  0.202774D+02
                86            87            88            89            90 
      1   0.725638D+01  0.202774D+02 -0.109952D+03  0.595745D+00  0.406414D+01
      2  -0.464103D+01 -0.101166D+01  0.595745D+00  0.481613D-01 -0.134676D+01
      3  -0.101166D+01 -0.437250D+00  0.406414D+01 -0.134676D+01  0.590781D-01
                91            92            93            94            95 
      1  -0.629523D+03 -0.243361D+02  0.167786D+02 -0.205290D+03 -0.403171D+02
      2  -0.243361D+02 -0.384923D+01 -0.189438D+00 -0.403171D+02 -0.219341D+02
      3   0.167786D+02 -0.189438D+00 -0.523815D+00 -0.538136D+01 -0.310612D+01
                96            97            98            99           100 
      1  -0.538136D+01 -0.776628D+02 -0.580663D+01 -0.950537D+00  0.830914D+02
      2  -0.310612D+01 -0.580663D+01 -0.260472D+01 -0.440718D+01 -0.128668D+02
      3  -0.369548D+01 -0.950537D+00 -0.440718D+01 -0.216404D+01  0.139943D+01
               101           102           103           104           105 
      1  -0.128668D+02  0.139943D+01 -0.587334D+02  0.260510D+02  0.503461D+01
      2  -0.431790D+01 -0.840818D+00  0.260510D+02  0.372792D+01  0.138627D+01
      3  -0.840818D+00 -0.123901D+01  0.503461D+01  0.138627D+01 -0.373949D+00
               106           107           108           109           110 
      1   0.207853D+02  0.310843D+01  0.656575D+00  0.137262D+02  0.318113D+01
      2   0.310843D+01 -0.138477D+01  0.114980D+01  0.318113D+01  0.435712D+01
      3   0.656575D+00  0.114980D+01 -0.351237D+00  0.179000D+01  0.220420D+00
               111           112           113           114           115 
      1   0.179000D+01 -0.174402D+02 -0.204264D+01 -0.161515D+01  0.125444D+02
      2   0.220420D+00 -0.204264D+01 -0.462926D+01  0.883649D+00  0.268523D+01
      3   0.109223D+01 -0.161515D+01  0.883649D+00 -0.680022D+00  0.247430D+01
               116           117           118           119           120 
      1   0.268523D+01  0.247430D+01 -0.392363D+02 -0.765816D+01  0.730596D+00
      2   0.484988D+01 -0.146341D+01 -0.765816D+01 -0.154909D+01 -0.141711D+01
      3  -0.146341D+01  0.388259D+01  0.730596D+00 -0.141711D+01  0.322546D+01
               121           122           123           124           125 
      1  -0.152122D+02 -0.352296D+01 -0.177203D+01  0.419112D+01 -0.139293D+01
      2  -0.352296D+01 -0.107430D+01  0.151851D+01 -0.139293D+01  0.142968D+01
      3  -0.177203D+01  0.151851D+01 -0.646351D+00  0.185005D+01 -0.887304D+00
               126           127           128           129           130 
      1   0.185005D+01 -0.140342D+01  0.470610D+01 -0.133165D+01  0.389919D+02
      2  -0.887304D+00  0.470610D+01 -0.448163D+00  0.160442D+01  0.159227D+01
      3  -0.362414D+01 -0.133165D+01  0.160442D+01 -0.255662D+01  0.192436D+01
               131           132           133           134           135 
      1   0.159227D+01  0.192436D+01 -0.806417D+01 -0.133985D+00 -0.420048D+01
      2  -0.176892D+01 -0.291687D+01 -0.133985D+00 -0.322775D+01 -0.302569D+01
      3  -0.291687D+01 -0.262942D+01 -0.420048D+01 -0.302569D+01  0.138714D+01
               136           137           138           139           140 
      1  -0.289427D+01  0.422246D+01 -0.122841D+01  0.300120D+01 -0.222664D+01
      2   0.422246D+01 -0.517928D+00  0.187108D+01 -0.222664D+01 -0.109086D+01
      3  -0.122841D+01  0.187108D+01 -0.213544D+01  0.142297D+01 -0.407380D+01
               141           142           143           144           145 
      1   0.142297D+01  0.183719D+01  0.182124D+01 -0.319231D+01 -0.103760D+04
      2  -0.407380D+01  0.182124D+01 -0.300595D+01 -0.210721D+01 -0.417932D+02
      3  -0.210047D+01 -0.319231D+01 -0.210721D+01  0.468328D+00  0.507840D+01
               146           147           148           149           150 
      1  -0.417932D+02  0.507840D+01 -0.110703D+03 -0.226788D+02  0.262091D+02
      2   0.134571D+01 -0.164765D+01 -0.226788D+02 -0.735679D+01  0.217349D+01
      3  -0.164765D+01 -0.161547D+01  0.262091D+02  0.217349D+01 -0.103477D+01
               151           152           153           154           155 
      1   0.201080D+03  0.794106D+01 -0.627879D+01  0.594810D+03  0.220476D+02
      2   0.794106D+01  0.391837D+00 -0.140659D+01  0.220476D+02 -0.225943D+01
      3  -0.627879D+01 -0.140659D+01  0.770209D-01 -0.128779D+02  0.392900D+00
               156           157           158           159           160 
      1  -0.128779D+02 -0.125971D+03  0.235708D+02 -0.224944D+01  0.653798D+02
      2   0.392900D+00  0.235708D+02 -0.621151D+01 -0.161429D+00 -0.379177D+01
      3  -0.156080D+00 -0.224944D+01 -0.161429D+00 -0.133414D+01 -0.397767D+01
               161           162           163           164           165 
      1  -0.379177D+01 -0.397767D+01 -0.254775D+03 -0.245610D+02 -0.216688D+01
      2   0.661808D+00 -0.297897D+01 -0.245610D+02 -0.171569D+01  0.149065D+01
      3  -0.297897D+01  0.138783D+01 -0.216688D+01  0.149065D+01  0.305284D+01
               166           167           168           169           170 
      1  -0.156724D+03 -0.278917D+02  0.352417D+01 -0.801695D+02  0.466257D+01
      2  -0.278917D+02 -0.229815D+01 -0.174667D+01  0.466257D+01  0.630864D+00
      3   0.352417D+01 -0.174667D+01 -0.205662D+01  0.411140D+01  0.142444D+01
               171           172           173           174           175 
      1   0.411140D+01  0.816978D+01  0.755745D+01  0.238775D+01  0.749913D+02
      2   0.142444D+01  0.755745D+01  0.894091D-01 -0.149170D+01  0.788253D+01
      3   0.212062D+01  0.238775D+01 -0.149170D+01 -0.423711D+01 -0.171161D+01
               176           177           178           179           180 
      1   0.788253D+01 -0.171161D+01  0.380841D+02  0.176328D+01 -0.664715D+01
      2  -0.388839D+00  0.292694D+01  0.176328D+01  0.368676D+01 -0.255958D+01
      3   0.292694D+01 -0.284632D+01 -0.664715D+01 -0.255958D+01 -0.960553D+00
               181           182           183           184           185 
      1   0.458905D+02  0.188164D+01 -0.314892D+00 -0.333923D+02  0.111005D+01
      2   0.188164D+01  0.365433D+01  0.651600D+00  0.111005D+01 -0.403742D-01
      3  -0.314892D+00  0.651600D+00  0.189254D+01 -0.152469D+01 -0.215133D+01
               186           187           188           189           190 
      1  -0.152469D+01 -0.217074D+01  0.718385D+00  0.532892D+01 -0.233104D+03
      2  -0.215133D+01  0.718385D+00 -0.527489D+00  0.252746D+01 -0.119979D+02
      3   0.427177D+01  0.532892D+01  0.252746D+01  0.111434D+00 -0.250601D+00
               191           192           193           194           195 
      1  -0.119979D+02 -0.250601D+00 -0.104430D+03 -0.302962D+02 -0.612928D+01
      2  -0.101817D+02  0.179228D+01 -0.302962D+02 -0.921964D+01  0.183025D+01
      3   0.179228D+01 -0.107239D+01 -0.612928D+01  0.183025D+01 -0.124112D+01
               196           197           198           199           200 
      1   0.488729D+02  0.647686D+01 -0.140965D+01  0.793335D+01 -0.277013D+00
      2   0.647686D+01  0.145607D+01 -0.155893D+01 -0.277013D+00 -0.916991D+00
      3  -0.140965D+01 -0.155893D+01  0.938754D+00  0.185596D+01  0.582597D+00
               201           202           203           204           205 
      1   0.185596D+01 -0.723654D+01 -0.230442D+01 -0.832635D+00 -0.124419D+02
      2   0.582597D+00 -0.230442D+01  0.841878D+00  0.592933D+00 -0.146870D+01
      3  -0.176489D+01 -0.832635D+00  0.592933D+00 -0.334772D+01 -0.252863D+01
               206           207           208           209           210 
      1  -0.146870D+01 -0.252863D+01  0.104056D+02  0.777550D+01  0.198532D+01
      2  -0.715211D+00 -0.328959D+01  0.777550D+01  0.432113D+01 -0.246511D-01
      3  -0.328959D+01  0.805709D+00  0.198532D+01 -0.246511D-01 -0.306048D+01
               211           212           213           214           215 
      1   0.224107D+02  0.108018D+02  0.238628D+01 -0.815720D+01 -0.484782D+01
      2   0.108018D+02  0.127251D+01  0.269858D+01 -0.484782D+01 -0.636535D+00
      3   0.238628D+01  0.269858D+01  0.987326D+00 -0.458554D+01  0.365581D+00
               216           217           218           219           220 
      1  -0.458554D+01  0.290153D+01 -0.422265D+01 -0.124233D+01 -0.303171D+01
      2   0.365581D+00 -0.422265D+01  0.530273D+00  0.185845D+01  0.224044D+01
      3  -0.124711D+01 -0.124233D+01  0.185845D+01  0.212870D+01  0.140508D+01
               221           222           223           224           225 
      1   0.224044D+01  0.140508D+01  0.188610D+01  0.180782D+01  0.318387D+01
      2   0.107870D+01 -0.407418D+01  0.180782D+01 -0.300411D+01  0.212055D+01
      3  -0.407418D+01  0.211593D+01  0.318387D+01  0.212055D+01  0.473087D+00
               226           227           228           229           230 
      1   0.146521D+01 -0.470835D+01 -0.134433D+01 -0.391433D+02 -0.160305D+01
      2  -0.470835D+01  0.447523D+00  0.159694D+01 -0.160305D+01  0.176865D+01
      3  -0.134433D+01  0.159694D+01  0.254851D+01  0.192003D+01 -0.290915D+01
               231           232           233           234           235 
      1   0.192003D+01 -0.808159D+01 -0.145881D+00  0.418922D+01  0.393109D+02
      2  -0.290915D+01 -0.145881D+00 -0.322343D+01  0.303621D+01  0.766715D+01
      3   0.264139D+01  0.418922D+01  0.303621D+01  0.139708D+01  0.730334D+00
               236           237           238           239           240 
      1   0.766715D+01  0.730334D+00  0.152284D+02  0.353106D+01 -0.177103D+01
      2   0.155307D+01 -0.141477D+01  0.353106D+01  0.107822D+01  0.151632D+01
      3  -0.141477D+01 -0.321827D+01 -0.177103D+01  0.151632D+01  0.635869D+00
               241           242           243           244           245 
      1   0.430238D+01 -0.138665D+01 -0.184370D+01  0.631580D+03  0.243352D+02
      2  -0.138665D+01  0.142696D+01  0.878395D+00  0.243352D+02  0.383316D+01
      3  -0.184370D+01  0.878395D+00 -0.364053D+01  0.165592D+02 -0.203163D+00
               246           247           248           249           250 
      1   0.165592D+02  0.205739D+03  0.402719D+02 -0.535595D+01 -0.772681D+02
      2  -0.203163D+00  0.402719D+02  0.219465D+02 -0.311750D+01 -0.583261D+01
      3   0.510874D+00 -0.535595D+01 -0.311750D+01  0.369726D+01  0.945121D+00
               251           252           253           254           255 
      1  -0.583261D+01  0.945121D+00 -0.828573D+02  0.128373D+02  0.141835D+01
      2  -0.260060D+01  0.441126D+01  0.128373D+02  0.432300D+01 -0.843541D+00
      3   0.441126D+01 -0.216138D+01  0.141835D+01 -0.843541D+00  0.123812D+01
               256           257           258           259           260 
      1   0.588713D+02 -0.259642D+02  0.500520D+01  0.203921D+02  0.312643D+01
      2  -0.259642D+02 -0.373286D+01  0.139031D+01  0.312643D+01 -0.137896D+01
      3   0.500520D+01  0.139031D+01  0.372500D+00 -0.655807D+00 -0.115125D+01
               261           262           263           264           265 
      1  -0.655807D+00 -0.137457D+02 -0.316631D+01  0.178603D+01  0.173470D+02
      2  -0.115125D+01 -0.316631D+01 -0.436287D+01  0.221109D+00  0.202373D+01
      3  -0.347890D+00  0.178603D+01  0.221109D+00 -0.109290D+01 -0.161069D+01
               266           267           268           269           270 
      1   0.202373D+01 -0.161069D+01  0.126086D+02  0.266925D+01 -0.247038D+01
      2   0.462955D+01  0.882883D+00  0.266925D+01  0.484889D+01  0.146269D+01
      3   0.882883D+00  0.680273D+00 -0.247038D+01  0.146269D+01  0.388134D+01
               271           272           273           274           275 
      1  -0.896932D+03 -0.131248D+02 -0.604677D+01  0.274409D+03 -0.730219D+01
      2  -0.131248D+02  0.950963D+00 -0.147543D+01 -0.730219D+01  0.464227D+01
      3  -0.604677D+01 -0.147543D+01 -0.136208D+01  0.202108D+02 -0.101005D+01
               276           277           278           279           280 
      1   0.202108D+02 -0.109477D+03  0.608448D+00 -0.403023D+01 -0.143482D+02
      2  -0.101005D+01  0.608448D+00  0.457558D-01  0.134699D+01 -0.449727D+01
      3   0.422292D+00 -0.403023D+01  0.134699D+01  0.662850D-01 -0.323082D+01
               281           282           283           284           285 
      1  -0.449727D+01 -0.323082D+01  0.763605D+01  0.839185D+00  0.426983D+00
      2  -0.486976D+01  0.135316D+01  0.839185D+00  0.182063D+01 -0.130492D+01
      3   0.135316D+01 -0.166889D+01  0.426983D+00 -0.130492D+01  0.153132D+00
               286           287           288           289           290 
      1  -0.174179D+02 -0.328656D+01 -0.395132D+01 -0.144249D+02  0.453643D+00
      2  -0.328656D+01 -0.294076D+01  0.166843D+01  0.453643D+00  0.182677D+01
      3  -0.395132D+01  0.166843D+01 -0.379773D+01 -0.165290D+01 -0.378630D+00
               291           292           293           294           295 
      1  -0.165290D+01 -0.253871D+02  0.126206D+01 -0.120103D+01  0.450935D+01
      2  -0.378630D+00  0.126206D+01  0.612778D+01 -0.118629D+01 -0.233576D-01
      3   0.812499D+00 -0.120103D+01 -0.118629D+01  0.724411D+00  0.412447D+00
               296           297           298           299           300 
      1  -0.233576D-01  0.412447D+00  0.142649D+02 -0.457130D+00 -0.166137D+01
      2  -0.666682D+00  0.156559D+01 -0.457130D+00 -0.182682D+01 -0.379911D+00
      3   0.156559D+01 -0.945354D+00 -0.166137D+01 -0.379911D+00 -0.811955D+00
               301           302           303           304           305 
      1   0.252195D+02 -0.128252D+01 -0.121120D+01  0.445307D+01 -0.251828D-01
      2  -0.128252D+01 -0.612442D+01 -0.118764D+01 -0.251828D-01 -0.666541D+00
      3  -0.121120D+01 -0.118764D+01 -0.723697D+00 -0.414923D+00 -0.156554D+01
               306           307           308           309           310 
      1  -0.414923D+00  0.141508D+02  0.451954D+01 -0.322713D+01 -0.759474D+01
      2  -0.156554D+01  0.451954D+01  0.487033D+01  0.135280D+01 -0.856886D+00
      3  -0.946314D+00 -0.322713D+01  0.135280D+01  0.167014D+01  0.427011D+00
               311           312           313           314           315 
      1  -0.856886D+00  0.427011D+00 -0.172671D+02 -0.329533D+01  0.394968D+01
      2  -0.182405D+01 -0.130527D+01 -0.329533D+01 -0.293850D+01 -0.166756D+01
      3  -0.130527D+01 -0.154539D+00  0.394968D+01 -0.166756D+01 -0.379687D+01
               316           317           318           319           320 
      1  -0.113320D+02 -0.451375D+01 -0.205227D+01 -0.107067D+02 -0.774942D+01
      2  -0.451375D+01 -0.446237D+01 -0.104476D+01 -0.774942D+01 -0.684783D+01
      3  -0.205227D+01 -0.104476D+01 -0.131895D+01 -0.281723D+01 -0.222780D+01
               321           322           323           324           325 
      1  -0.281723D+01  0.384371D+01  0.140937D+01 -0.774080D+00  0.132339D+01
      2  -0.222780D+01  0.140937D+01 -0.669661D+00 -0.945840D+00 -0.946491D+00
      3  -0.179714D+01 -0.774080D+00 -0.945840D+00 -0.700322D+00 -0.755407D+00
               326           327           328           329           330 
      1  -0.946491D+00 -0.755407D+00 -0.294104D+01 -0.100778D+01 -0.256202D+00
      2   0.113994D+01  0.142074D+01 -0.100778D+01 -0.157527D+01 -0.140718D+01
      3   0.142074D+01  0.365649D+01 -0.256202D+00 -0.140718D+01 -0.115901D+01
               331           332           333           334           335 
      1   0.370635D+01  0.334628D-02 -0.448584D-01 -0.210718D+02 -0.862897D+00
      2   0.334628D-02 -0.155599D+01 -0.194542D+01 -0.862897D+00 -0.115546D+01
      3  -0.448584D-01 -0.194542D+01 -0.487965D+01 -0.464459D+01 -0.512904D-01
               336           337           338           339           340 
      1  -0.464459D+01 -0.385965D+01 -0.220951D+01 -0.146408D+00 -0.377558D+01
      2  -0.512904D-01 -0.220951D+01  0.125124D+00 -0.520984D+00 -0.605289D+00
      3  -0.250095D+01 -0.146408D+00 -0.520984D+00  0.951227D-01 -0.230109D+01
               341           342           343           344           345 
      1  -0.605289D+00 -0.230109D+01  0.582939D-02  0.429513D+00 -0.635123D+00
      2   0.729986D-01  0.390387D-01  0.429513D+00  0.721150D+00 -0.663716D+00
      3   0.390387D-01 -0.110406D+01 -0.635123D+00 -0.663716D+00  0.203305D+01
               346           347           348           349           350 
      1  -0.986134D+00 -0.361456D+00  0.817392D+00  0.626285D+00  0.112901D+01
      2  -0.361456D+00  0.162792D+01 -0.181239D+01  0.112901D+01 -0.159928D+01
      3   0.817392D+00 -0.181239D+01  0.316018D+01 -0.126195D+01  0.225292D+01
               351           352           353           354           355 
      1  -0.126195D+01 -0.518900D+01  0.441309D+01  0.119481D+01  0.957945D+01
      2   0.225292D+01  0.441309D+01 -0.206449D+01 -0.315387D+00 -0.390289D+01
      3  -0.627141D+01  0.119481D+01 -0.315387D+00 -0.969135D+00 -0.206088D+00
               356           357           358           359           360 
      1  -0.390289D+01 -0.206088D+00  0.274461D+01 -0.971229D+00 -0.209348D+01
      2   0.500581D+01  0.453079D+00 -0.971229D+00  0.673887D+00  0.723919D+00
      3   0.453079D+00  0.617562D+00 -0.209348D+01  0.723919D+00  0.523587D+00
               361           362           363           364           365 
      1   0.280044D+01  0.168763D+01 -0.905730D+00  0.465750D+00  0.737833D+00
      2   0.168763D+01  0.139505D+01 -0.386540D+00  0.737833D+00  0.719886D+00
      3  -0.905730D+00 -0.386540D+00  0.284976D+01 -0.397344D+00  0.682247D+00
               366           367           368           369           370 
      1  -0.397344D+00 -0.351586D+01 -0.908724D+00  0.147731D+01 -0.248332D+01
      2   0.682247D+00 -0.908724D+00  0.275507D+00  0.632056D+00 -0.483842D+00
      3   0.994058D+00  0.147731D+01  0.632056D+00 -0.109568D+00  0.854552D+00
               371           372           373           374           375 
      1  -0.483842D+00  0.854552D+00 -0.192068D+01 -0.164709D+01  0.181505D+01
      2  -0.143519D+00 -0.141104D+00 -0.164709D+01 -0.347494D+01  0.302179D+01
      3  -0.141104D+00 -0.392775D+00  0.181505D+01  0.302179D+01 -0.485800D+01
               376           377           378           379           380 
      1   0.201644D+01  0.114363D+01 -0.210103D+01 -0.631764D+01  0.224481D+01
      2   0.114363D+01  0.221505D+01 -0.258685D+01  0.224481D+01 -0.168390D+01
      3  -0.210103D+01 -0.258685D+01  0.518392D+01  0.325638D+01 -0.136976D+01
               381           382           383           384           385 
      1   0.325638D+01  0.182572D+01 -0.291282D+01 -0.287794D+01  0.101419D+01
      2  -0.136976D+01 -0.291282D+01  0.249027D+01  0.237970D+01 -0.149166D+01
      3  -0.314476D+01 -0.287794D+01  0.237970D+01  0.294227D+01 -0.286057D+01
               386           387           388           389           390 
      1  -0.149166D+01 -0.286057D+01 -0.403108D+01 -0.992870D+00 -0.180146D+01
      2   0.143548D+01  0.115657D+01 -0.992870D+00 -0.963381D+00 -0.772524D+00
      3   0.115657D+01  0.311816D+01 -0.180146D+01 -0.772524D+00 -0.147044D+01
               391           392           393           394           395 
      1  -0.597156D+00 -0.144576D+01 -0.885860D+00 -0.502002D+01 -0.165692D+01
      2  -0.144576D+01 -0.140494D+01 -0.519569D+00 -0.165692D+01 -0.118640D+01
      3  -0.885860D+00 -0.519569D+00 -0.124854D+01 -0.184940D+01 -0.116910D+01
               396           397           398           399           400 
      1  -0.184940D+01 -0.288699D+01  0.349054D+01  0.267575D+01  0.130424D+02
      2  -0.116910D+01  0.349054D+01 -0.124044D+01 -0.616665D+00 -0.211979D+01
      3  -0.383914D+01  0.267575D+01 -0.616665D+00 -0.162318D+01 -0.268712D+01
               401           402           403           404           405 
      1  -0.211979D+01 -0.268712D+01  0.577255D+01 -0.816738D+00 -0.302518D+01
      2   0.174330D+01  0.103778D+01 -0.816738D+00  0.965830D+00  0.229016D+00
      3   0.103778D+01  0.135750D+01 -0.302518D+01  0.229016D+00  0.150304D+01
               406           407           408           409           410 
      1  -0.428920D+01 -0.101900D+01  0.833533D+00 -0.328639D+01 -0.369243D+01
      2  -0.101900D+01 -0.361713D+00  0.143583D+00 -0.369243D+01 -0.483505D+01
      3   0.833533D+00  0.143583D+00 -0.439739D+00  0.203829D+01  0.283580D+01
               411           412           413           414           415 
      1   0.203829D+01  0.496231D+01  0.226298D+01 -0.286249D+01 -0.425974D+01
      2   0.283580D+01  0.226298D+01  0.301647D+01 -0.257448D+01 -0.145820D+01
      3  -0.272282D+01 -0.286249D+01 -0.257448D+01  0.307065D+01 -0.957676D+00
               416           417           418           419           420 
      1  -0.145820D+01 -0.957676D+00 -0.158454D+01  0.102746D+00 -0.160297D+00
      2   0.335109D+01  0.793794D+00  0.102746D+00 -0.373309D+01 -0.122374D+01
      3   0.793794D+00  0.156406D+01 -0.160297D+00 -0.122374D+01 -0.794407D+00
               421           422           423           424           425 
      1  -0.115095D+01  0.647288D-03  0.603757D+00 -0.145610D+02 -0.616888D+01
      2   0.647288D-03 -0.310286D+01 -0.130592D+01 -0.616888D+01 -0.563730D+01
      3   0.603757D+00 -0.130592D+01 -0.126224D+01  0.958701D+00  0.874090D+00
               426           427           428           429           430 
      1   0.958701D+00  0.590886D+01 -0.389072D+01  0.800190D+00 -0.359403D+01
      2   0.874090D+00 -0.389072D+01 -0.581600D+01  0.543979D+00 -0.810065D-01
      3  -0.794138D+00  0.800190D+00  0.543979D+00 -0.812614D+00 -0.863430D+00
               431           432           433           434           435 
      1  -0.810065D-01 -0.863430D+00 -0.791046D+00 -0.786293D+00  0.319060D+00
      2  -0.185570D+00 -0.902905D+00 -0.786293D+00  0.105115D+01 -0.612369D+00
      3  -0.902905D+00  0.586800D+00  0.319060D+00 -0.612369D+00  0.223033D+01
               436           437           438           439           440 
      1   0.972869D+00  0.149693D+00 -0.743837D-02 -0.155483D+00  0.233093D+00
      2   0.149693D+00 -0.326311D-01  0.666109D+00  0.233093D+00  0.240922D+01
      3  -0.743837D-02  0.666109D+00 -0.231010D+00  0.403951D-01 -0.207365D+01
               441           442           443           444           445 
      1   0.403951D-01  0.244750D+01  0.481494D+00  0.847216D+00  0.191226D+01
      2  -0.207365D+01  0.481494D+00  0.135351D+00 -0.147587D+00  0.164207D+01
      3   0.619333D+01  0.847216D+00 -0.147587D+00  0.381942D+00  0.180674D+01
               446           447           448           449           450 
      1   0.164207D+01  0.180674D+01  0.200071D+01  0.113817D+01  0.208965D+01
      2   0.348179D+01  0.302210D+01  0.113817D+01  0.221384D+01  0.258330D+01
      3   0.302210D+01  0.485544D+01  0.208965D+01  0.258330D+01  0.517313D+01
               451           452           453           454           455 
      1  -0.284009D+01 -0.168824D+01 -0.912165D+00 -0.444643D+00 -0.740747D+00
      2  -0.168824D+01 -0.139645D+01 -0.390083D+00 -0.740747D+00 -0.720390D+00
      3  -0.912165D+00 -0.390083D+00 -0.284486D+01 -0.402498D+00  0.680662D+00
               456           457           458           459           460 
      1  -0.402498D+00 -0.352265D+01 -0.915515D+00 -0.148050D+01  0.633519D+01
      2   0.680662D+00 -0.915515D+00  0.274485D+00 -0.633893D+00 -0.223723D+01
      3  -0.997263D+00 -0.148050D+01 -0.633893D+00 -0.118358D+00  0.325801D+01
               461           462           463           464           465 
      1  -0.223723D+01  0.325801D+01 -0.182553D+01  0.290492D+01 -0.287954D+01
      2   0.167899D+01 -0.137091D+01  0.290492D+01 -0.248212D+01  0.237948D+01
      3  -0.137091D+01  0.315157D+01 -0.287954D+01  0.237948D+01 -0.294683D+01
               466           467           468           469           470 
      1   0.103543D+01 -0.149294D+01  0.287154D+01  0.426697D+01  0.101857D+01
      2  -0.149294D+01  0.143781D+01 -0.116100D+01  0.101857D+01  0.360194D+00
      3   0.287154D+01 -0.116100D+01  0.313498D+01  0.830208D+00  0.141906D+00
               471           472           473           474           475 
      1   0.830208D+00  0.328762D+01  0.369300D+01  0.203951D+01  0.495733D+01
      2   0.141906D+00  0.369300D+01  0.483616D+01  0.283781D+01  0.226165D+01
      3   0.439104D+00  0.203951D+01  0.283781D+01  0.272391D+01  0.286325D+01
               476           477           478           479           480 
      1   0.226165D+01  0.286325D+01  0.289905D+01 -0.348780D+01  0.267988D+01
      2   0.301552D+01  0.257355D+01 -0.348780D+01  0.123920D+01 -0.619122D+00
      3   0.257355D+01  0.307178D+01  0.267988D+01 -0.619122D+00  0.162539D+01
               481           482           483           484           485 
      1  -0.130255D+02  0.212294D+01 -0.269569D+01  0.577653D+01 -0.822401D+00
      2   0.212294D+01 -0.174574D+01  0.104232D+01 -0.822401D+00  0.969194D+00
      3  -0.269569D+01  0.104232D+01 -0.136403D+01  0.303310D+01 -0.232636D+00
               486           487           488           489           490 
      1   0.303310D+01  0.404622D+01  0.994620D+00 -0.180438D+01  0.607079D+00
      2  -0.232636D+00  0.994620D+00  0.964724D+00 -0.772525D+00  0.144528D+01
      3   0.151176D+01 -0.180438D+01 -0.772525D+00  0.147480D+01 -0.885321D+00
               491           492           493           494           495 
      1   0.144528D+01 -0.885321D+00 -0.502786D+01 -0.165621D+01  0.185053D+01
      2   0.140160D+01 -0.516291D+00 -0.165621D+01 -0.118263D+01  0.116423D+01
      3  -0.516291D+00  0.124371D+01  0.185053D+01  0.116423D+01 -0.383398D+01
               496           497           498           499           500 
      1   0.210930D+02  0.856816D+00 -0.463278D+01  0.381507D+01  0.220958D+01
      2   0.856816D+00  0.115442D+01 -0.482982D-01  0.220958D+01 -0.126972D+00
      3  -0.463278D+01 -0.482982D-01  0.249428D+01 -0.145224D+00 -0.519915D+00
               501           502           503           504           505 
      1  -0.145224D+00 -0.371636D+01 -0.603852D+00  0.229342D+01 -0.213242D-03
      2  -0.519915D+00 -0.603852D+00  0.748307D-01 -0.404278D-01 -0.432205D+00
      3  -0.962543D-01  0.229342D+01 -0.404278D-01 -0.109631D+01 -0.632555D+00
               506           507           508           509           510 
      1  -0.432205D+00 -0.632555D+00  0.980558D+00  0.362730D+00  0.819201D+00
      2  -0.720213D+00 -0.662003D+00  0.362730D+00 -0.162988D+01 -0.181450D+01
      3  -0.662003D+00 -0.202899D+01  0.819201D+00 -0.181450D+01 -0.316083D+01
               511           512           513           514           515 
      1   0.598351D+00  0.113239D+01  0.126522D+01 -0.133861D+01  0.943766D+00
      2   0.113239D+01 -0.160160D+01 -0.225527D+01  0.943766D+00 -0.113852D+01
      3   0.126522D+01 -0.225527D+01 -0.627412D+01 -0.753897D+00  0.142053D+01
               516           517           518           519           520 
      1  -0.753897D+00  0.293990D+01  0.100696D+01 -0.257342D+00  0.371113D+01
      2   0.142053D+01  0.100696D+01  0.157458D+01 -0.140873D+01  0.451849D-02
      3  -0.365820D+01 -0.257342D+00 -0.140873D+01  0.116216D+01  0.478430D-01
               521           522           523           524           525 
      1   0.451849D-02  0.478430D-01  0.113509D+02  0.451790D+01 -0.205053D+01
      2  -0.155755D+01  0.194978D+01  0.451790D+01  0.446175D+01 -0.104358D+01
      3   0.194978D+01 -0.489389D+01 -0.205053D+01 -0.104358D+01  0.131826D+01
               526           527           528           529           530 
      1   0.106929D+02  0.774597D+01 -0.281537D+01  0.382013D+01  0.140648D+01
      2   0.774597D+01  0.683763D+01 -0.222371D+01  0.140648D+01 -0.664690D+00
      3  -0.281537D+01 -0.222371D+01  0.179580D+01  0.768398D+00  0.944123D+00
               531           532           533           534           535 
      1   0.768398D+00  0.525709D+01 -0.440739D+01  0.119644D+01 -0.955216D+01
      2   0.944123D+00 -0.440739D+01  0.206316D+01 -0.316802D+00  0.390381D+01
      3  -0.698498D+00  0.119644D+01 -0.316802D+00  0.968407D+00 -0.210693D+00
               536           537           538           539           540 
      1   0.390381D+01 -0.210693D+00  0.274475D+01 -0.973697D+00  0.209412D+01
      2  -0.500932D+01  0.456296D+00 -0.973697D+00  0.678957D+00 -0.726012D+00
      3   0.456296D+00 -0.619032D+00  0.209412D+01 -0.726012D+00  0.527203D+00
               541           542           543           544           545 
      1   0.145689D+02  0.617038D+01  0.959621D+00 -0.587615D+01  0.389011D+01
      2   0.617038D+01  0.563786D+01  0.874401D+00  0.389011D+01  0.580688D+01
      3   0.959621D+00  0.874401D+00  0.793788D+00  0.804988D+00  0.543935D+00
               546           547           548           549           550 
      1   0.804988D+00 -0.357444D+01 -0.756352D-01  0.865072D+00  0.422644D+01
      2   0.543935D+00 -0.756352D-01 -0.180857D+00  0.904444D+00  0.145849D+01
      3   0.812693D+00  0.865072D+00  0.904444D+00  0.586565D+00 -0.958612D+00
               551           552           553           554           555 
      1   0.145849D+01 -0.958612D+00  0.152590D+01 -0.100046D+00 -0.159501D+00
      2  -0.334781D+01  0.797938D+00 -0.100046D+00  0.374001D+01 -0.122952D+01
      3   0.797938D+00 -0.156546D+01 -0.159501D+00 -0.122952D+01  0.799296D+00
               556           557           558           559           560 
      1  -0.113435D+01  0.615933D-03 -0.604063D+00  0.765082D+00  0.784650D+00
      2   0.615933D-03 -0.311170D+01  0.131303D+01  0.784650D+00 -0.105721D+01
      3  -0.604063D+00  0.131303D+01 -0.127111D+01  0.319625D+00 -0.614482D+00
               561           562           563           564           565 
      1   0.319625D+00 -0.994968D+00 -0.152657D+00 -0.732087D-02 -0.170546D+00
      2  -0.614482D+00 -0.152657D+00  0.350794D-01  0.667330D+00  0.233168D+00
      3  -0.223405D+01 -0.732087D-02  0.667330D+00  0.235539D+00 -0.464990D-01
               566           567 
      1   0.233168D+00 -0.464990D-01
      2   0.241024D+01  0.207314D+01
      3   0.207314D+01  0.618011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.702639D+01 -0.625954D+01 -0.251555D+01  0.101067D+02  0.172584D+01
      2  -0.171247D+02  0.119221D+01  0.167191D+02 -0.473402D+01  0.527030D+01
      3   0.792712D+02 -0.294956D+01 -0.106982D+00  0.152206D+02 -0.432167D+01
                 6             7             8             9            10 
      1  -0.439307D+01 -0.122138D+02  0.504371D+01 -0.741792D+01 -0.255387D+02
      2   0.208995D+02  0.804823D+01  0.208158D+02  0.817591D+01  0.652042D+01
      3  -0.513935D+01 -0.105943D+02  0.906699D+01 -0.221427D+02 -0.892663D+02
                11            12            13            14            15 
      1   0.575812D+01  0.245860D+01  0.174252D+02  0.292647D+01 -0.508540D+01
      2   0.258143D+01 -0.594563D+01 -0.147062D+02 -0.123258D+02 -0.213058D+02
      3   0.398071D+02 -0.109142D+02  0.355805D+03  0.169194D+02  0.699863D+01
                16            17            18            19            20 
      1   0.268319D+02  0.406403D+01  0.620170D+01  0.928800D+02 -0.541971D+01
      2  -0.247618D+02 -0.160229D+02 -0.351684D+00 -0.275048D+01  0.607876D+01
      3  -0.313491D+02 -0.108301D+02  0.123000D+02  0.146828D+03 -0.119893D+03
                21            22            23            24            25 
      1  -0.163423D+00  0.192165D+02  0.528900D+01 -0.253340D+01  0.420513D+02
      2   0.358331D+01  0.122157D+02  0.548864D+01  0.898676D+01 -0.222566D+03
      3   0.319221D+02  0.102736D+04 -0.821787D+02  0.261078D+00  0.168697D+03
                26            27            28            29            30 
      1   0.126981D+02 -0.465352D+01 -0.221978D+03 -0.105743D+02 -0.492176D+01
      2  -0.396017D+01  0.636489D+01  0.331235D+02  0.844202D+01 -0.484575D+01
      3  -0.780475D+01 -0.157459D+02  0.588033D+03 -0.122315D+03 -0.425231D+02
                31            32            33            34            35 
      1   0.132192D+03 -0.152025D+02  0.759122D+01  0.111991D+03  0.722832D+01
      2   0.737435D+02  0.425126D+01 -0.379734D+01 -0.494617D+02  0.223154D+01
      3  -0.876473D+03 -0.280798D+02 -0.106844D+03  0.281134D+01 -0.204831D+02
                36            37            38            39            40 
      1  -0.365305D+01  0.866211D+02  0.553833D+01  0.251115D+01  0.390291D+02
      2  -0.843467D+00 -0.190874D+02  0.602314D+01 -0.591803D+01 -0.607098D+02
      3  -0.334843D+02  0.360285D+03  0.461174D+02 -0.224599D+02  0.363959D+03
                41            42            43            44            45 
      1   0.134219D+02 -0.104049D+02 -0.101546D+03  0.606934D+01  0.101164D+00
      2  -0.118086D+02  0.999576D+01  0.180791D+03  0.101046D+02  0.399981D+01
      3   0.636807D+02  0.237302D+02 -0.569501D+01  0.193576D+02 -0.304955D+01
                46            47            48            49            50 
      1   0.214542D+02  0.467665D+01 -0.934821D+01  0.171184D+02 -0.837691D+01
      2  -0.435830D+02 -0.119111D+02  0.207754D+02 -0.366847D+02  0.652252D+00
      3  -0.343493D+02 -0.119238D+02  0.370654D+01 -0.862143D+02 -0.307348D+02
                51            52            53            54            55 
      1  -0.267968D+01 -0.683386D+01  0.259942D+01  0.465393D+01 -0.209143D+02
      2  -0.390935D+01 -0.430394D+01 -0.579616D+01  0.388649D+01  0.299194D+02
      3  -0.126458D+02 -0.752553D+02 -0.128897D+02  0.102603D+02 -0.193296D+02
                56            57            58            59            60 
      1   0.295593D+01 -0.424977D+01 -0.267227D+02 -0.505293D+01 -0.396454D+00
      2   0.306147D+00  0.220185D+02  0.737351D+02  0.220220D+02  0.160542D+02
      3  -0.188970D+02  0.115269D+02 -0.233653D+03 -0.369951D+02 -0.284160D+02
                61            62            63            64            65 
      1  -0.518749D+01  0.592489D+01  0.473242D+01  0.462216D+03  0.152603D+02
      2   0.311900D+01  0.116184D+02 -0.106124D+02 -0.209960D+03 -0.201864D+02
      3   0.508732D+02 -0.127856D+02 -0.490406D+01 -0.309598D+03  0.125293D+03
                66            67            68            69            70 
      1   0.807035D+01  0.968822D+02  0.675184D+01  0.528545D+01  0.263862D+03
      2   0.557800D+01 -0.221480D+03 -0.172181D+02 -0.814690D+00 -0.581762D+03
      3  -0.154494D+03 -0.109359D+04 -0.103976D+03 -0.142338D+02 -0.158799D+03
                71            72            73            74            75 
      1   0.132572D+02 -0.213931D+01 -0.186600D+00 -0.463844D-01 -0.131872D+01
      2  -0.307451D+02  0.216600D+00  0.189849D+00  0.405862D-01 -0.139520D+02
      3  -0.818715D+01 -0.418315D+00 -0.128942D+03 -0.303986D+02 -0.599964D-01
                76            77            78            79            80 
      1   0.432944D+01  0.206379D-01 -0.278225D+02 -0.181945D+03 -0.284357D+02
      2  -0.352924D+00 -0.124349D+00  0.127555D+02  0.120660D+04  0.323733D+02
      3   0.381617D+04  0.284912D+02 -0.105954D+01 -0.793425D+00  0.319437D+00
                81            82            83            84            85 
      1   0.334058D-01  0.429388D+03  0.120249D+02 -0.524369D+01 -0.181964D+03
      2  -0.219112D+00 -0.235275D+03 -0.243286D+02  0.101314D+02  0.590574D+02
      3  -0.422194D+01  0.120345D+04  0.845279D+02 -0.132320D+03 -0.985875D+03
                86            87            88            89            90 
      1  -0.599927D+00  0.445370D+01 -0.154576D+03  0.710866D+01 -0.584546D+00
      2   0.228364D+02 -0.360360D+01 -0.241831D+03  0.108102D+02  0.187810D+01
      3   0.337265D+02  0.249707D+02 -0.120494D+03  0.783177D+01 -0.163685D+01
                91            92            93            94            95 
      1  -0.244590D+03 -0.874825D+01  0.462357D+01 -0.141403D+03 -0.951180D+00
      2   0.109131D+03  0.133727D+02 -0.905549D+01  0.135489D+03 -0.132293D+02
      3  -0.187118D+04 -0.139088D+02 -0.415986D+02 -0.349343D+03  0.204293D+03
                96            97            98            99           100 
      1  -0.201143D+01 -0.113727D+03  0.123310D+02 -0.184880D+01  0.262365D+02
      2  -0.113057D+02  0.781196D+01 -0.201773D+02 -0.656405D+01 -0.101609D+02
      3   0.128784D+03  0.421692D+02  0.309913D+02  0.529775D+02 -0.181219D+03
               101           102           103           104           105 
      1   0.874862D+00 -0.297967D+01 -0.226156D+02  0.144356D+00  0.631754D+00
      2  -0.273933D+01 -0.400973D+01 -0.327282D+02  0.101806D+02 -0.510008D+00
      3   0.642356D+02 -0.694169D+01 -0.183406D+03 -0.146363D+03 -0.269028D+02
               106           107           108           109           110 
      1   0.506548D+02  0.103948D+02  0.401565D+01  0.240763D+02 -0.130549D+01
      2   0.862819D+02 -0.351457D+00 -0.232107D+01  0.894495D+01 -0.215971D+00
      3  -0.333586D+02 -0.109117D+02 -0.107791D+01  0.574062D+02 -0.412991D+02
               111           112           113           114           115 
      1   0.480889D+01 -0.254218D+02  0.590025D+01 -0.584406D+01  0.203260D+02
      2   0.575420D+01 -0.562847D+01  0.329585D+01 -0.318861D+01 -0.355160D+01
      3  -0.137395D+02  0.380491D+01  0.438167D+02  0.744607D+01  0.804633D+02
               116           117           118           119           120 
      1  -0.516698D+01  0.144084D+02 -0.232170D+02  0.433456D+01 -0.124111D+02
      2  -0.371501D+01  0.136795D+02  0.240196D+02  0.153514D+01  0.124196D+02
      3  -0.347619D+02 -0.844397D+01 -0.654424D+02 -0.300388D+02  0.508103D+01
               121           122           123           124           125 
      1  -0.501969D+01 -0.931050D+01  0.102207D+01 -0.601305D+01  0.105003D+02
      2  -0.907986D+00  0.668265D+01 -0.141299D+01  0.691360D+01 -0.774933D+00
      3   0.340984D+02 -0.280244D+01 -0.987059D+01  0.501065D+02 -0.995959D+01
               126           127           128           129           130 
      1   0.153987D+02  0.870881D+01 -0.478995D+01  0.659813D+01 -0.139166D+01
      2  -0.136810D+02  0.457327D+00  0.705436D+01 -0.159271D+02 -0.207480D+02
      3   0.169241D+02 -0.385634D+02  0.100829D+02 -0.149381D+02  0.160215D+03
               131           132           133           134           135 
      1   0.298787D+01 -0.187404D+01  0.655465D+01  0.346217D+01 -0.684516D+01
      2  -0.196555D+02 -0.220282D+02 -0.263035D+02 -0.237948D+02  0.151253D+02
      3   0.232700D+02  0.307934D+02 -0.331777D+02  0.194232D+02  0.156294D+02
               136           137           138           139           140 
      1   0.121490D+02 -0.286025D+01  0.728185D+01 -0.131822D+02 -0.263377D+00
      2  -0.177032D+02 -0.512698D+01 -0.213641D+01 -0.775330D+01 -0.167742D+02
      3  -0.316588D+02  0.156141D+01 -0.113485D+02  0.284468D+02  0.632582D+01
               141           142           143           144           145 
      1  -0.172684D+02  0.533203D+01 -0.724465D+01 -0.770880D+01 -0.462457D+03
      2  -0.156905D+02 -0.119444D+02 -0.129076D+02  0.102819D+02  0.209830D+03
      3   0.194320D+02  0.237598D+02  0.162749D+02  0.924589D+01 -0.298726D+03
               146           147           148           149           150 
      1  -0.151660D+02  0.851793D+01 -0.994985D+02 -0.700212D+01  0.537458D+01
      2   0.203130D+02  0.551000D+01  0.222249D+03  0.173221D+02 -0.858905D+00
      3   0.124994D+03  0.154775D+03 -0.109056D+04 -0.104059D+03  0.147611D+02
               151           152           153           154           155 
      1   0.264965D+03  0.133078D+02  0.205329D+01  0.223517D+03  0.105279D+02
      2  -0.582540D+03 -0.308259D+02 -0.431767D-01 -0.336858D+02 -0.857097D+01
      3   0.157137D+03  0.825858D+01 -0.815638D+00  0.591945D+03 -0.122371D+03
               156           157           158           159           160 
      1  -0.488686D+01 -0.132884D+03  0.151465D+02  0.779215D+01  0.112255D+03
      2  -0.484397D+01 -0.748255D+02 -0.425861D+01 -0.377485D+01 -0.489988D+02
      3   0.420779D+02 -0.869577D+03 -0.281907D+02  0.107216D+03 -0.325190D+01
               161           162           163           164           165 
      1   0.724690D+01  0.357421D+01 -0.861936D+02 -0.549027D+01  0.255597D+01
      2   0.224572D+01  0.842904D+00  0.191505D+02 -0.600406D+01 -0.589998D+01
      3   0.203905D+02 -0.335798D+02  0.360130D+03  0.460389D+02  0.223907D+02
               166           167           168           169           170 
      1  -0.387889D+02 -0.133660D+02 -0.103965D+02 -0.101907D+03  0.605839D+01
      2   0.611595D+02  0.118482D+02  0.993675D+01  0.181018D+03  0.100857D+02
      3   0.363340D+03  0.636554D+02 -0.237977D+02  0.609696D+01 -0.192371D+02
               171           172           173           174           175 
      1  -0.357344D-01  0.209352D+02 -0.295270D+01 -0.424148D+01  0.265195D+02
      2  -0.413181D+01 -0.299641D+02 -0.343276D+00  0.219627D+02 -0.739520D+02
      3  -0.287414D+01 -0.194296D+02 -0.189255D+02 -0.115132D+02 -0.233259D+03
               176           177           178           179           180 
      1   0.501367D+01 -0.415742D+00 -0.521034D+01  0.590001D+01 -0.474572D+01
      2  -0.220182D+02  0.161229D+02  0.297658D+01  0.116439D+02  0.106826D+02
      3  -0.369882D+02  0.284396D+02 -0.503329D+02  0.127854D+02 -0.496745D+01
               181           182           183           184           185 
      1   0.254307D+02 -0.573566D+01  0.246962D+01 -0.170003D+02 -0.289251D+01
      2  -0.642988D+01 -0.257373D+01 -0.591664D+01  0.147017D+02  0.122886D+02
      3  -0.891301D+02  0.397818D+02  0.109291D+02  0.355907D+03  0.169643D+02
               186           187           188           189           190 
      1  -0.506725D+01  0.266139D+02  0.409065D+01 -0.621421D+01 -0.926307D+02
      2  -0.213313D+02 -0.246821D+02 -0.160419D+02  0.306588D+00  0.301217D+01
      3  -0.705220D+01  0.308096D+02  0.110196D+02  0.123480D+02  0.143046D+03
               191           192           193           194           195 
      1   0.524034D+01 -0.207094D+00 -0.174661D+02 -0.538410D+01 -0.252226D+01
      2  -0.604517D+01  0.358642D+01 -0.119647D+02 -0.557321D+01  0.898388D+01
      3  -0.119870D+03 -0.319972D+02  0.102619D+04 -0.824004D+02 -0.771192D+00
               196           197           198           199           200 
      1   0.421504D+02  0.127257D+02  0.463914D+01  0.702099D+01  0.628999D+01
      2  -0.222806D+03 -0.397275D+01 -0.627583D+01  0.170358D+02 -0.120978D+01
      3  -0.168946D+03  0.754452D+01 -0.158130D+02  0.791107D+02 -0.287398D+01
               201           202           203           204           205 
      1  -0.254086D+01 -0.100968D+02 -0.172429D+01 -0.438843D+01 -0.121719D+02
      2   0.167140D+02  0.471053D+01 -0.524950D+01  0.209033D+02  0.805422D+01
      3   0.129104D+00  0.152515D+02 -0.432684D+01  0.509659D+01  0.106983D+02
               206           207           208           209           210 
      1   0.504614D+01  0.742912D+01 -0.215374D+02 -0.469416D+01 -0.932065D+01
      2   0.208184D+02 -0.813492D+01  0.435225D+02  0.118895D+02  0.207294D+02
      3  -0.909573D+01 -0.221448D+02 -0.340618D+02 -0.118845D+02 -0.368089D+01
               211           212           213           214           215 
      1  -0.172760D+02  0.834673D+01 -0.268719D+01 -0.674240D+01  0.258826D+01
      2   0.366865D+02 -0.667042D+00 -0.390437D+01 -0.427744D+01 -0.575765D+01
      3  -0.858680D+02 -0.306889D+02  0.127260D+02  0.749682D+02  0.128962D+02
               216           217           218           219           220 
      1  -0.470429D+01 -0.121185D+02  0.290339D+01  0.723454D+01  0.132728D+02
      2  -0.380483D+01  0.177501D+02  0.519138D+01 -0.208732D+01  0.779247D+01
      3   0.101895D+02 -0.314703D+02  0.160600D+01  0.112930D+02  0.286646D+02
               221           222           223           224           225 
      1   0.215876D+00 -0.172656D+02  0.524657D+01 -0.724127D+01  0.775825D+01
      2   0.167344D+02 -0.157140D+02 -0.118941D+02 -0.129281D+02 -0.102830D+02
      3   0.625671D+01 -0.194648D+02 -0.238959D+02 -0.162827D+02  0.933747D+01
               226           227           228           229           230 
      1  -0.873401D+01  0.477124D+01  0.658112D+01  0.148590D+01 -0.297173D+01
      2  -0.432046D+00 -0.700577D+01 -0.158584D+02  0.208895D+02  0.196219D+02
      3  -0.386236D+02  0.100921D+02  0.149090D+02  0.160017D+03  0.232607D+02
               231           232           233           234           235 
      1  -0.182870D+01  0.654539D+01  0.350571D+01  0.687178D+01  0.232226D+02
      2  -0.221031D+02 -0.262114D+02 -0.238547D+02 -0.151762D+02 -0.241080D+02
      3  -0.307569D+02  0.330504D+02 -0.193735D+02  0.157239D+02 -0.651506D+02
               236           237           238           239           240 
      1  -0.432469D+01 -0.123829D+02  0.509759D+01  0.931542D+01  0.975105D+00
      2  -0.156864D+01  0.123900D+02  0.879578D+00 -0.668461D+01 -0.137310D+01
      3  -0.300241D+02 -0.508901D+01  0.338328D+02 -0.281092D+01  0.984015D+01
               241           242           243           244           245 
      1  -0.601854D+01  0.104617D+02 -0.154614D+02  0.241491D+03  0.884113D+01
      2   0.683691D+01 -0.743369D+00  0.137268D+02 -0.109299D+03 -0.132913D+02
      3  -0.502172D+02  0.991782D+01  0.168760D+02 -0.186705D+04 -0.138578D+02
               246           247           248           249           250 
      1   0.462196D+01  0.140980D+03  0.117579D+01 -0.225564D+01 -0.113467D+03
      2  -0.902637D+01 -0.135475D+03  0.132036D+02 -0.112500D+02  0.753958D+01
      3   0.424405D+02 -0.356646D+03  0.204645D+03 -0.128578D+03 -0.411361D+02
               251           252           253           254           255 
      1   0.122941D+02  0.193032D+01 -0.266030D+02 -0.797943D+00 -0.295199D+01
      2  -0.201638D+02  0.655329D+01  0.101527D+02  0.272445D+01 -0.401615D+01
      3  -0.311519D+02  0.529743D+02 -0.180727D+03  0.643439D+02  0.700450D+01
               256           257           258           259           260 
      1   0.221847D+02 -0.264832D+00  0.655196D+00  0.503970D+02  0.104056D+02
      2   0.326368D+02 -0.101418D+02 -0.527484D+00  0.864331D+02 -0.338044D+00
      3  -0.182415D+03 -0.146459D+03  0.269903D+02  0.330041D+02  0.110738D+02
               261           262           263           264           265 
      1  -0.403467D+01 -0.239506D+02  0.127180D+01  0.483171D+01  0.253754D+02
      2   0.227111D+01 -0.900034D+01  0.221747D+00  0.576293D+01  0.570056D+01
      3  -0.103154D+01  0.579667D+02 -0.413814D+02  0.137042D+02  0.316151D+01
               266           267           268           269           270 
      1  -0.586687D+01 -0.586564D+01  0.201861D+02 -0.514223D+01 -0.144219D+02
      2  -0.329928D+01 -0.319276D+01 -0.351588D+01 -0.371938D+01 -0.136774D+02
      3   0.438510D+02 -0.742696D+01 -0.809777D+02  0.347694D+02 -0.840397D+01
               271           272           273           274           275 
      1  -0.427834D+03 -0.119974D+02 -0.483409D+01  0.179196D+03  0.757815D+00
      2   0.235661D+03  0.241948D+02  0.100347D+02 -0.590140D+02 -0.227589D+02
      3   0.121221D+04  0.842209D+02  0.131825D+03 -0.988906D+03  0.337693D+02
               276           277           278           279           280 
      1   0.432552D+01 -0.153717D+03  0.708167D+01  0.625908D+00  0.622927D+01
      2  -0.357651D+01 -0.241972D+03  0.107483D+02 -0.179245D+01  0.397081D+02
      3  -0.244276D+02  0.122624D+03 -0.804969D+01 -0.192817D+01  0.103217D+03
               281           282           283           284           285 
      1   0.807275D+00  0.354280D+01 -0.422864D+01  0.297916D+01 -0.602116D+00
      2  -0.342809D+01  0.662997D+01 -0.264499D+02  0.337871D+01 -0.993566D+00
      3  -0.473728D+02  0.819642D+01  0.226372D+01  0.216299D+02 -0.998679D+01
               286           287           288           289           290 
      1  -0.771775D-01 -0.152213D+01  0.108562D+02 -0.639645D+01 -0.101503D+01
      2   0.262814D+02 -0.302799D+01  0.115696D+02  0.323781D+01  0.301402D+01
      3   0.102466D+03 -0.269403D+02  0.496883D+01  0.138046D+03  0.162197D+02
               291           292           293           294           295 
      1  -0.413816D+01 -0.105115D+02 -0.181899D+01 -0.638304D+01 -0.643508D+00
      2  -0.315576D+00 -0.473981D+01  0.528890D+01 -0.102134D+01 -0.727485D+01
      3  -0.835986D+01  0.144440D+03  0.514255D+02 -0.792014D+01 -0.360815D+02
               296           297           298           299           300 
      1  -0.319318D+01  0.304014D+01  0.661380D+01  0.101332D+01 -0.413171D+01
      2  -0.408098D+01  0.266642D+01 -0.322811D+01 -0.301748D+01 -0.315926D+00
      3  -0.702568D+01  0.836026D+01  0.138387D+03  0.162357D+02  0.831496D+01
               301           302           303           304           305 
      1   0.107558D+02  0.183616D+01 -0.637695D+01 -0.595432D+00 -0.318925D+01
      2   0.478048D+01 -0.529390D+01 -0.102268D+01 -0.725684D+01 -0.407983D+01
      3   0.144683D+03  0.514170D+02  0.786889D+01  0.361802D+02  0.701879D+01
               306           307           308           309           310 
      1  -0.304289D+01 -0.614895D+01 -0.847553D+00  0.352479D+01  0.434181D+01
      2  -0.266541D+01 -0.396888D+02  0.344178D+01  0.664586D+01  0.264745D+02
      3   0.835359D+01  0.102675D+03 -0.473438D+02 -0.823646D+01  0.255112D+01
               311           312           313           314           315 
      1  -0.295717D+01 -0.592884D+00 -0.195403D+00 -0.150138D+01 -0.108354D+02
      2  -0.338527D+01 -0.100883D+01  0.262732D+02 -0.303423D+01 -0.115687D+02
      3   0.216543D+02  0.997988D+01 -0.101952D+03  0.268838D+02  0.500880D+01
               316           317           318           319           320 
      1  -0.549286D+01  0.530173D+01 -0.359176D+01  0.296707D+01  0.306570D+01
      2   0.232907D+01 -0.370772D+00  0.656703D+01  0.558001D+00  0.363478D+01
      3  -0.233487D+02 -0.213797D+02 -0.437028D+00 -0.134210D+01 -0.187337D+02
               321           322           323           324           325 
      1  -0.501972D+01 -0.695484D+01  0.353458D+00  0.198588D+00  0.112237D+01
      2   0.775330D+01  0.182547D+02  0.581986D+01  0.293049D+01  0.799378D+01
      3  -0.544551D+01 -0.392242D+02 -0.132445D+02 -0.154218D+01  0.493538D+00
               326           327           328           329           330 
      1   0.335445D+00  0.788022D+01 -0.237550D+01 -0.154782D+01 -0.199315D+01
      2  -0.847568D+01 -0.184142D+02  0.219291D+01  0.704686D+01  0.583280D+01
      3   0.954098D+01  0.102033D+02  0.115145D+02 -0.504502D+01 -0.690830D+01
               331           332           333           334           335 
      1   0.444495D+01 -0.302594D-02 -0.855431D+01 -0.218886D+01  0.396591D+01
      2  -0.923521D+01  0.968118D+01  0.250065D+02 -0.244083D+01 -0.378863D+00
      3   0.801868D+01 -0.588396D+01 -0.122734D+02 -0.891645D+01 -0.134694D+02
               336           337           338           339           340 
      1  -0.153026D+01  0.508687D+01  0.711271D+00 -0.134569D+01  0.276181D+01
      2   0.119039D+02 -0.144889D+01  0.808237D+00 -0.234918D+00  0.102413D+02
      3   0.240667D+00  0.154212D+02  0.145011D+01 -0.364384D+01  0.187620D+02
               341           342           343           344           345 
      1   0.539506D+00 -0.179008D+01 -0.166278D+01 -0.310260D+01  0.146295D+01
      2  -0.269412D+00  0.358248D+01  0.507591D+01  0.453363D+01 -0.118918D+02
      3   0.870213D+00 -0.434385D+00  0.654417D+00  0.427113D+01 -0.371574D+01
               346           347           348           349           350 
      1  -0.132201D+01 -0.595653D+01  0.315844D+01 -0.405225D+01  0.602275D+01
      2  -0.221440D+01  0.106266D+02 -0.174012D+02  0.162220D+01 -0.125467D+02
      3   0.442878D+01  0.123340D+02 -0.111168D+02 -0.116952D+02 -0.940222D+01
               351           352           353           354           355 
      1  -0.640882D+01 -0.813042D+00  0.477628D+00  0.264128D+01  0.725129D+01
      2   0.341097D+02 -0.699640D+01  0.139278D+01  0.650288D+01  0.230636D+01
      3   0.147187D+02 -0.531453D+02 -0.169590D+02 -0.342610D+01 -0.372039D+02
               356           357           358           359           360 
      1  -0.111301D+01 -0.251571D+01 -0.616915D+01  0.222207D+01 -0.160023D+01
      2  -0.211729D+01 -0.456751D+01  0.580666D+01 -0.355307D+01 -0.286910D+01
      3   0.301890D+02  0.251886D+00 -0.689512D+01  0.202778D+01  0.455056D+01
               361           362           363           364           365 
      1   0.760773D+01  0.384722D+01  0.461570D+00  0.316099D+01  0.341501D+01
      2  -0.182450D+02 -0.677044D+01 -0.948925D+01 -0.711460D+01 -0.660425D+01
      3   0.369654D+02  0.478864D+01 -0.395124D+01 -0.121127D+00  0.280743D+01
               366           367           368           369           370 
      1   0.636365D+00  0.635141D+00  0.234502D+01  0.119576D+01  0.137728D+01
      2  -0.302615D+01 -0.491064D+01 -0.147400D+01 -0.271726D+01 -0.468490D+01
      3   0.182997D+01 -0.518528D+01 -0.206506D+01  0.375537D+01  0.139553D+02
               371           372           373           374           375 
      1  -0.881135D+00 -0.789957D+00 -0.287440D+01 -0.121832D+02  0.424883D+01
      2   0.128797D+01  0.974436D+00 -0.299659D+01 -0.126410D+02  0.216041D+02
      3  -0.182972D+01 -0.184735D+01 -0.567982D+01 -0.180848D+02  0.133963D+02
               376           377           378           379           380 
      1   0.177798D+01  0.847264D+01 -0.435896D+01  0.820952D+01 -0.718214D+01
      2   0.396569D+01  0.109450D+02 -0.220809D+02 -0.419138D+01  0.141521D+01
      3  -0.386651D+01  0.104616D+02 -0.112567D+02  0.439702D+01 -0.117604D+02
               381           382           383           384           385 
      1  -0.517398D+01 -0.973298D+01  0.105592D+02  0.692382D+01 -0.597916D+01
      2   0.110306D+02  0.314827D+01 -0.697337D+01 -0.885362D+01  0.614913D+01
      3  -0.853440D+01  0.172586D+01  0.158680D+02  0.116993D+02  0.411987D+01
               386           387           388           389           390 
      1   0.648634D+01  0.512265D+01 -0.474190D+01 -0.163506D+01 -0.381916D+01
      2  -0.280852D+01 -0.970554D+01  0.136625D+02  0.600688D+01  0.131039D+02
      3   0.912175D+01  0.629887D+01  0.400740D+01 -0.511610D+01 -0.235433D+01
               391           392           393           394           395 
      1  -0.306145D+01 -0.149420D+01 -0.426498D+01 -0.371696D+01 -0.165119D+01
      2   0.570723D+01  0.455448D+01  0.105684D+02  0.123756D+02  0.902276D+01
      3  -0.124863D+02 -0.762586D+01 -0.281444D+01 -0.601367D+01 -0.849352D+01
               396           397           398           399           400 
      1  -0.101845D+02  0.938602D+01 -0.310280D+01 -0.255517D+01 -0.615524D+01
      2   0.331532D+02 -0.141019D+02  0.190681D+01  0.105651D+02  0.287570D+01
      3  -0.555062D+01 -0.803350D+01 -0.195519D+02 -0.704037D+01 -0.335967D+02
               401           402           403           404           405 
      1   0.462212D+01  0.188660D+01 -0.552349D+01  0.258443D+01  0.210827D+01
      2  -0.496835D+01 -0.823895D+01  0.118356D+02 -0.752832D+00 -0.745176D+01
      3   0.174090D+02  0.114195D+02 -0.798419D+01  0.968148D+01  0.575436D+01
               406           407           408           409           410 
      1   0.761242D+00 -0.410526D+00 -0.635410D+00 -0.634301D+00 -0.284793D+01
      2  -0.309414D+01 -0.654000D+00  0.296399D+01 -0.931242D+01 -0.168739D+02
      3   0.910890D+01 -0.244923D+01 -0.739291D+00 -0.195521D+02 -0.322138D+02
               411           412           413           414           415 
      1  -0.324441D+01 -0.220368D+01  0.170041D+01  0.268171D+01 -0.604324D+01
      2   0.183279D+02  0.126083D+02  0.155220D+02 -0.184451D+02  0.648865D+01
      3   0.173659D+02  0.460429D+01  0.205063D+02 -0.142039D+02  0.156491D+02
               416           417           418           419           420 
      1   0.539879D+01  0.793450D+01  0.301329D+01 -0.735508D+01 -0.589470D+01
      2  -0.339544D+00 -0.264492D+01  0.245830D+01  0.250483D+01  0.110246D+01
      3   0.209778D+02  0.748850D+01  0.487158D+02 -0.176266D+02 -0.736998D+01
               421           422           423           424           425 
      1   0.379603D+01 -0.541058D+01 -0.657894D+01 -0.391933D+01 -0.120916D+01
      2  -0.526783D+01  0.335589D+01  0.244408D+01  0.457849D+01 -0.126490D+00
      3   0.161224D+02 -0.154412D+02 -0.100387D+02 -0.345967D+01 -0.831997D+01
               426           427           428           429           430 
      1  -0.420461D+01  0.255993D+01 -0.262753D+01 -0.384695D+01 -0.465383D+01
      2   0.414224D+01 -0.407891D+01  0.280701D+00  0.340082D+01  0.512188D+01
      3   0.136415D+01 -0.310957D+02 -0.148121D+02  0.935285D+00  0.567857D+01
               431           432           433           434           435 
      1  -0.157905D+01  0.139839D+01  0.235540D+01 -0.881012D+00  0.821005D+01
      2   0.292976D+01 -0.173356D+01 -0.637449D+01  0.238454D+01 -0.768791D+01
      3  -0.141442D+01 -0.212021D+01  0.172869D+02  0.769040D+01 -0.703890D+01
               436           437           438           439           440 
      1   0.520050D+00  0.228548D+01 -0.387928D+00 -0.538130D+00 -0.175991D+01
      2  -0.169975D+01 -0.221175D+01  0.104316D+01 -0.282122D+01  0.758779D+01
      3   0.997709D+01  0.446256D+00  0.239557D+01 -0.132998D+02  0.104971D+02
               441           442           443           444           445 
      1   0.233472D+02 -0.137265D+01  0.849548D+00 -0.798902D+00  0.284325D+01
      2  -0.209477D+02  0.467932D+01 -0.131574D+01  0.927644D+00  0.296787D+01
      3  -0.151154D+02  0.139787D+02 -0.178411D+01  0.187147D+01 -0.563415D+01
               446           447           448           449           450 
      1   0.122099D+02  0.424559D+01  0.176862D+01  0.846817D+01  0.435330D+01
      2   0.126619D+02  0.216009D+02  0.392980D+01  0.109417D+02  0.220404D+02
      3  -0.181020D+02 -0.133855D+02  0.395727D+01 -0.104399D+02 -0.112332D+02
               451           452           453           454           455 
      1  -0.759314D+01 -0.384495D+01  0.449694D+00 -0.318268D+01 -0.341505D+01
      2   0.182394D+02  0.675629D+01 -0.944555D+01  0.711570D+01  0.660664D+01
      3   0.369589D+02  0.478958D+01  0.395300D+01 -0.358728D-01  0.280021D+01
               456           457           458           459           460 
      1   0.628953D+00  0.630127D+00  0.234316D+01 -0.119739D+01 -0.820890D+01
      2  -0.302447D+01 -0.487886D+01 -0.147092D+01  0.267975D+01  0.418998D+01
      3  -0.181472D+01  0.528263D+01  0.206665D+01  0.376631D+01  0.441709D+01
               461           462           463           464           465 
      1   0.716952D+01 -0.518554D+01  0.972633D+01 -0.105293D+02  0.693133D+01
      2  -0.142988D+01  0.110487D+02 -0.315229D+01  0.698601D+01 -0.885818D+01
      3  -0.117340D+02  0.854268D+01  0.181751D+01  0.158154D+02 -0.116961D+02
               466           467           468           469           470 
      1  -0.600665D+01  0.649949D+01 -0.514619D+01 -0.733539D+00  0.415173D+00
      2   0.616453D+01 -0.282053D+01  0.975912D+01  0.308526D+01  0.642911D+00
      3  -0.414900D+01 -0.913800D+01  0.632618D+01  0.914989D+01 -0.243082D+01
               471           472           473           474           475 
      1  -0.632577D+00  0.641667D+00  0.286811D+01 -0.322890D+01 -0.219707D+01
      2   0.296089D+01  0.930683D+01  0.168826D+02  0.183298D+02  0.126092D+02
      3   0.740236D+00 -0.195581D+02 -0.322220D+02 -0.173774D+02 -0.455721D+01
               476           477           478           479           480 
      1   0.171509D+01 -0.266957D+01 -0.943870D+01  0.310514D+01 -0.256493D+01
      2   0.155157D+02  0.184444D+02  0.141097D+02 -0.192343D+01  0.105693D+02
      3  -0.204990D+02 -0.141940D+02 -0.816002D+01 -0.195371D+02  0.707176D+01
               481           482           483           484           485 
      1   0.617743D+01 -0.464024D+01  0.190317D+01 -0.555067D+01  0.259990D+01
      2  -0.293333D+01  0.499252D+01 -0.827158D+01  0.118772D+02 -0.772253D+00
      3  -0.335656D+02  0.174280D+02 -0.114613D+02  0.796469D+01 -0.972061D+01
               486           487           488           489           490 
      1  -0.212322D+01  0.475582D+01  0.163571D+01 -0.382896D+01  0.305726D+01
      2   0.749920D+01 -0.137005D+02 -0.601118D+01  0.131520D+02 -0.571592D+01
      3   0.579196D+01  0.401782D+01 -0.513063D+01  0.235031D+01 -0.124935D+02
               491           492           493           494           495 
      1   0.148838D+01 -0.425015D+01 -0.371578D+01 -0.164202D+01  0.101619D+02
      2  -0.453515D+01  0.105348D+02  0.124132D+02  0.899224D+01 -0.331275D+02
      3  -0.760612D+01  0.279450D+01  0.601171D+01  0.847288D+01 -0.551274D+01
               496           497           498           499           500 
      1   0.216799D+01 -0.396259D+01 -0.152422D+01 -0.508669D+01 -0.698343D+00
      2   0.249071D+01  0.382677D+00  0.118984D+02  0.146367D+01 -0.804302D+00
      3  -0.883921D+01 -0.134653D+02 -0.252691D+00  0.154894D+02  0.145475D+01
               501           502           503           504           505 
      1  -0.134463D+01  0.276942D+01  0.525972D+00  0.178277D+01  0.166644D+01
      2  -0.237766D+00  0.102281D+02 -0.275105D+00 -0.355022D+01 -0.505493D+01
      3   0.362966D+01 -0.188273D+02 -0.884932D+00 -0.422919D+00  0.607050D+00
               506           507           508           509           510 
      1   0.309603D+01  0.145232D+01  0.132410D+01  0.595304D+01  0.315417D+01
      2  -0.452647D+01 -0.118679D+02  0.223015D+01 -0.106374D+02 -0.174079D+02
      3   0.427125D+01  0.370918D+01  0.447057D+01  0.123543D+02  0.111344D+02
               511           512           513           514           515 
      1  -0.405491D+01  0.602790D+01  0.639673D+01 -0.110855D+01 -0.332245D+00
      2   0.165478D+01 -0.125601D+02 -0.341297D+02 -0.795819D+01  0.847800D+01
      3   0.116844D+02  0.942368D+01  0.147387D+02  0.555990D+00  0.953575D+01
               516           517           518           519           520 
      1   0.787907D+01  0.239031D+01  0.155057D+01 -0.199804D+01  0.441477D+01
      2  -0.184283D+02 -0.219315D+01 -0.705288D+01  0.584941D+01 -0.923063D+01
      3  -0.101933D+02  0.114923D+02 -0.504046D+01  0.691066D+01 -0.793303D+01
               521           522           523           524           525 
      1  -0.751677D-02  0.857535D+01  0.544387D+01 -0.531692D+01 -0.359202D+01
      2   0.970193D+01 -0.250804D+02 -0.234708D+01  0.374453D+00  0.657281D+01
      3   0.589029D+01 -0.122761D+02 -0.234560D+02 -0.214049D+02  0.443687D+00
               526           527           528           529           530 
      1  -0.297052D+01 -0.307044D+01 -0.501518D+01 -0.687962D+01  0.358669D+00
      2  -0.534023D+00 -0.361432D+01  0.774938D+01  0.182533D+02  0.582106D+01
      3  -0.130991D+01 -0.186942D+02  0.542161D+01  0.393929D+02  0.132181D+02
               531           532           533           534           535 
      1  -0.197437D+00  0.723873D+00 -0.480487D+00  0.264514D+01 -0.727754D+01
      2  -0.292752D+01  0.700078D+01 -0.140169D+01  0.649563D+01 -0.231659D+01
      3  -0.156541D+01 -0.530807D+02 -0.169493D+02  0.346006D+01 -0.370754D+02
               536           537           538           539           540 
      1   0.110815D+01 -0.251433D+01 -0.615356D+01  0.222887D+01  0.160546D+01
      2   0.213309D+01 -0.457413D+01  0.583745D+01 -0.356380D+01  0.288757D+01
      3   0.302205D+02 -0.264822D+00  0.688246D+01 -0.205406D+01  0.456622D+01
               541           542           543           544           545 
      1   0.386890D+01  0.119318D+01 -0.420635D+01 -0.261031D+01  0.260464D+01
      2  -0.455005D+01  0.137902D+00  0.414438D+01  0.407622D+01 -0.273405D+00
      3  -0.344500D+01 -0.832314D+01 -0.134743D+01 -0.311831D+02 -0.147880D+02
               546           547           548           549           550 
      1  -0.384756D+01 -0.465539D+01 -0.158185D+01 -0.140127D+01  0.606865D+01
      2   0.340125D+01  0.511048D+01  0.293408D+01  0.173457D+01 -0.648005D+01
      3  -0.919893D+00 -0.569587D+01  0.140724D+01 -0.212233D+01  0.158045D+02
               551           552           553           554           555 
      1  -0.540056D+01  0.794180D+01 -0.294311D+01  0.737575D+01 -0.591679D+01
      2   0.362942D+00 -0.265640D+01 -0.244201D+01 -0.253055D+01  0.112016D+01
      3   0.209647D+02 -0.751244D+01  0.486462D+02 -0.176428D+02  0.738229D+01
               556           557           558           559           560 
      1   0.378439D+01 -0.543440D+01  0.661612D+01 -0.233244D+01  0.886200D+00
      2  -0.526608D+01  0.338072D+01 -0.247506D+01  0.638356D+01 -0.239079D+01
      3  -0.161123D+02  0.154846D+02 -0.100681D+02  0.173403D+02  0.771939D+01
               561           562           563           564           565 
      1   0.822987D+01 -0.507993D+00 -0.228680D+01 -0.404836D+00 -0.503468D+00
      2  -0.770265D+01  0.169783D+01  0.221850D+01  0.105835D+01 -0.283879D+01
      3   0.704966D+01  0.996342D+01  0.428396D+00 -0.241129D+01  0.133503D+02
               566           567 
      1  -0.176520D+01 -0.233109D+02
      2   0.758994D+01  0.209109D+02
      3  -0.105016D+02 -0.151307D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.130825D+03 -0.123937D+02  0.312621D+02 -0.151570D+02  0.241922D+02
      2   0.771362D+02  0.157373D+02 -0.108357D+02  0.719674D+01 -0.138688D+02
      3   0.536884D+02 -0.334360D+01 -0.204265D+02  0.796026D+01 -0.103234D+02
      4  -0.260175D+02  0.127330D+02  0.528943D+01  0.181611D+02 -0.852231D+01
      5   0.548835D+02  0.798141D+01  0.113833D+02 -0.297846D+01  0.910091D+00
      6   0.137394D+01 -0.424978D+01 -0.221318D+01 -0.833705D+00  0.253141D+01
                 6             7             8             9            10 
      1   0.110355D+02 -0.311576D+01  0.681961D+01  0.232811D+02 -0.306208D+02
      2   0.403958D+01  0.732491D+01  0.586654D+01 -0.703784D+01  0.206713D+02
      3  -0.150750D+02 -0.420915D+01 -0.126861D+02 -0.162433D+02  0.994947D+01
      4   0.533765D+01 -0.760358D+01 -0.241099D+01  0.309673D+02  0.318302D+02
      5   0.311882D+02  0.265082D+02  0.313955D+02  0.298690D+00 -0.160360D+02
      6  -0.632156D+00  0.251063D+01  0.241296D+01 -0.112407D+02 -0.111254D+02
                11            12            13            14            15 
      1   0.809812D+01 -0.761063D+01  0.104492D+02 -0.413705D+02  0.103122D+02
      2  -0.425129D+00  0.434542D+01  0.822923D+01  0.240041D+02 -0.847119D+01
      3  -0.767299D+01  0.326521D+01 -0.186784D+02  0.173664D+02 -0.184102D+01
      4  -0.344807D+02  0.824689D+01 -0.127059D+03  0.528540D+01 -0.210529D+02
      5   0.109983D+02 -0.190828D+02  0.285538D+02 -0.183873D+02 -0.419050D+02
      6   0.228406D+01 -0.152056D+01  0.733457D+01  0.451017D+00 -0.887728D+01
                16            17            18            19            20 
      1  -0.110837D+02  0.784174D+01 -0.317326D+02  0.156926D+03  0.591840D+02
      2   0.892212D-01 -0.748198D+01  0.215583D+02 -0.663855D+02 -0.457417D+02
      3   0.109944D+02 -0.359757D+00  0.101743D+02 -0.905405D+02 -0.134422D+02
      4   0.117569D+02 -0.132196D+02 -0.251982D+02  0.300229D+02  0.918098D+02
      5  -0.642465D+02 -0.292700D+02  0.275809D+01  0.185501D+02  0.275806D+01
      6  -0.987843D+01 -0.601302D+01  0.234943D+00  0.837563D+02 -0.325476D+01
                21            22            23            24            25 
      1   0.161226D+00  0.464026D+01  0.256719D+02 -0.316701D+00 -0.223928D+02
      2  -0.669652D+00 -0.362244D+01 -0.618467D+01  0.176359D+01  0.149595D+02
      3   0.508426D+00 -0.101782D+01 -0.194873D+02 -0.144689D+01  0.743329D+01
      4   0.121382D+01 -0.879977D+01  0.693178D+02  0.104747D+02 -0.212700D+02
      5   0.142762D+02  0.236210D+02  0.102919D+02  0.139988D+02  0.510410D+02
      6  -0.144756D+01  0.348385D+02  0.104653D+02  0.416811D+01  0.132431D+02
                26            27            28            29            30 
      1   0.443015D+00  0.184221D+02 -0.283950D+03  0.776562D+01  0.102402D+02
      2  -0.854392D-02 -0.190686D+02  0.792473D+02 -0.167313D+02 -0.743127D+01
      3  -0.434471D+00  0.646527D+00  0.204703D+03  0.896566D+01 -0.280896D+01
      4   0.106262D+02  0.998462D+01 -0.311394D+03  0.181137D+02  0.128347D+02
      5   0.141992D+02  0.688946D+01 -0.919687D+02 -0.115406D+02 -0.166796D+02
      6   0.936479D+01  0.919870D+00 -0.241405D+03 -0.152757D+02 -0.703737D+01
                31            32            33            34            35 
      1  -0.269984D+02  0.398867D+02  0.406900D+01 -0.333661D+02 -0.700162D+01
      2   0.131922D+02 -0.435849D+02 -0.193559D+01  0.180907D+02 -0.793125D+00
      3   0.138062D+02  0.369820D+01 -0.213341D+01  0.152755D+02  0.779475D+01
      4  -0.796387D+02  0.275299D+02  0.259413D+02 -0.617676D+02 -0.170062D+00
      5  -0.365324D+02 -0.486241D+01  0.218975D+01  0.447570D+02  0.192707D+02
      6   0.563439D+02 -0.206228D+02 -0.634217D+01  0.424858D+02  0.383141D+01
                36            37            38            39            40 
      1   0.759825D+01  0.421973D+02  0.116610D+02 -0.144939D+02  0.160659D+03
      2  -0.150005D+02  0.366175D+02  0.549006D+01  0.126796D+02 -0.611217D+02
      3   0.740224D+01 -0.788148D+02 -0.171511D+02  0.181437D+01 -0.995371D+02
      4   0.213487D+02  0.802705D+02  0.116762D+02  0.111690D+02  0.138401D+03
      5   0.783532D+01  0.327249D+02  0.221206D+02 -0.258360D+02  0.726710D+02
      6  -0.343302D+01  0.103068D+03  0.149974D+02 -0.640176D+01  0.501681D+02
                41            42            43            44            45 
      1   0.170529D+02  0.246147D+02 -0.816043D+01  0.271648D+02 -0.428413D+02
      2   0.100211D+01 -0.201507D+02  0.606431D+01 -0.234102D+02  0.310653D+02
      3  -0.180550D+02 -0.446397D+01  0.209612D+01 -0.375463D+01  0.117761D+02
      4   0.129597D+02 -0.143073D+02  0.511419D+02  0.921710D+01 -0.204251D+02
      5  -0.771477D+01  0.206098D+02 -0.702086D+02 -0.184700D+02  0.162283D+02
      6   0.435452D+01  0.649570D+01 -0.482238D+02 -0.562719D+01  0.133271D+02
                46            47            48            49            50 
      1  -0.177381D+02 -0.252856D+02  0.279881D+02 -0.625775D+02 -0.389708D+02
      2  -0.104329D+02 -0.487468D+01 -0.621991D+01  0.161343D+02  0.154530D+02
      3   0.281710D+02  0.301603D+02 -0.217682D+02  0.464432D+02  0.235179D+02
      4  -0.676719D+02 -0.513262D+02  0.884561D+01 -0.902156D+02 -0.257471D+02
      5   0.243187D+02  0.766224D+01  0.179154D+02  0.250503D+02  0.283586D+02
      6   0.177403D+02  0.858144D+01  0.147000D+02  0.222213D+02  0.123046D+02
                51            52            53            54            55 
      1  -0.238405D+01 -0.914901D+01 -0.207734D+02  0.415250D+02 -0.193330D+02
      2   0.321328D+01  0.120100D+02  0.132590D+02 -0.273832D+02 -0.128346D+02
      3  -0.829229D+00 -0.286096D+01  0.751445D+01 -0.141418D+02  0.321676D+02
      4   0.238234D+02 -0.156088D+02 -0.624141D+01  0.895414D+01 -0.616109D+02
      5  -0.754706D+01  0.390889D+02  0.371816D+01 -0.209073D+02  0.160353D+02
      6  -0.845548D+01  0.152887D+02 -0.498785D+01 -0.313587D+01 -0.108073D+02
                56            57            58            59            60 
      1  -0.586431D+02  0.121930D+02 -0.139236D+03  0.432190D+01 -0.278173D+02
      2   0.362736D+02 -0.183756D+02  0.729472D+02 -0.114133D+02  0.145764D+02
      3   0.223695D+02  0.618255D+01  0.662886D+02  0.709141D+01  0.132409D+02
      4  -0.366408D+01 -0.131088D+02  0.386417D+01  0.939033D+01  0.279351D+02
      5  -0.221738D+02  0.434659D+02 -0.541548D+02  0.256449D+02  0.233881D+02
      6  -0.184064D+01  0.444425D+01 -0.162989D+02 -0.345100D+00  0.136149D+02
                61            62            63            64            65 
      1   0.714462D+02 -0.197881D+02  0.492223D+02  0.224482D+03  0.113106D+02
      2  -0.447080D+02  0.142272D+02 -0.225340D+02 -0.560778D+02 -0.130065D+01
      3  -0.267382D+02  0.556092D+01 -0.266883D+02 -0.168404D+03 -0.100099D+02
      4   0.886944D+01  0.305198D+02  0.313924D+02  0.137857D+03 -0.306071D+02
      5   0.798741D+02  0.247625D+02  0.209022D+01  0.165297D+03  0.646270D+01
      6   0.238465D+02  0.116830D+02  0.580644D+01  0.414834D+03  0.176396D+02
                66            67            68            69            70 
      1   0.975395D+01  0.121765D+03 -0.745074D+01  0.230854D+01  0.240946D+02
      2  -0.673130D+01 -0.806331D+02  0.143411D+02 -0.180203D+01 -0.210642D+02
      3  -0.302265D+01 -0.411317D+02 -0.689034D+01 -0.506509D+00 -0.303039D+01
      4   0.275521D+02  0.492207D+03  0.514794D+02  0.659325D+01  0.541100D+02
      5   0.155253D+02  0.418613D+02  0.774791D+01  0.969685D+01  0.509365D+02
      6   0.184543D+01  0.409101D+02  0.910485D+01  0.155776D+02  0.104053D+03
                71            72            73            74            75 
      1   0.428569D+01 -0.273518D+01 -0.156673D+03  0.304742D+01  0.264515D-01
      2  -0.281354D+01  0.172224D+01 -0.202013D+02 -0.643113D+01 -0.426759D-02
      3  -0.147214D+01  0.101294D+01  0.176875D+03  0.338371D+01 -0.221839D-01
      4   0.235840D+01  0.482149D+01 -0.300363D+02 -0.141908D+02  0.262383D-01
      5   0.479235D+01  0.132217D+01  0.877310D-01  0.205026D-02 -0.211231D+02
      6   0.103116D+02  0.367664D+01  0.794849D-01  0.138861D-01 -0.583887D+01
                76            77            78            79            80 
      1  -0.413842D+03 -0.169932D+02  0.851971D-01 -0.105896D+00 -0.230216D-01
      2   0.246465D+03  0.567712D+01 -0.417162D-01  0.187879D+00  0.196761D-01
      3   0.167377D+03  0.113161D+02 -0.434809D-01 -0.819832D-01  0.334556D-02
      4  -0.120949D+04 -0.283716D+01  0.312641D+00  0.271332D+00 -0.185719D-01
      5   0.141848D-01  0.202777D-01 -0.475238D+01 -0.669690D+02  0.439441D-01
      6  -0.665460D+00  0.128048D-01 -0.232967D+02 -0.652561D+02  0.291724D+00
                81            82            83            84            85 
      1  -0.342562D+02  0.729091D+02 -0.634657D+02 -0.927280D+00  0.151946D+03
      2  -0.165569D+01  0.378679D+02  0.541026D+02  0.313094D+01 -0.104616D+03
      3   0.359119D+02 -0.110777D+03  0.936312D+01 -0.220366D+01 -0.473298D+02
      4  -0.867363D-01 -0.157929D+03 -0.122124D+02  0.244779D+02  0.390142D+03
      5   0.322859D-01  0.955433D+02  0.420154D+01  0.205441D+02 -0.218241D+02
      6   0.199088D-01  0.374088D+03  0.101748D+02  0.944230D+01 -0.119693D+03
                86            87            88            89            90 
      1  -0.163886D+02 -0.267151D+01  0.548604D+01  0.115783D+01 -0.771606D+01
      2   0.181114D+02  0.677585D+00  0.290978D+01 -0.303772D+01  0.505796D+01
      3  -0.172282D+01  0.199392D+01 -0.839582D+01  0.187989D+01  0.265811D+01
      4  -0.174905D+02 -0.605245D+01  0.403575D+02 -0.856544D+00 -0.154489D+01
      5  -0.327233D+01 -0.872326D+00  0.307472D+00 -0.529509D+00  0.123492D+01
      6   0.603524D+01  0.122292D+02 -0.663387D+02  0.890586D+01  0.447206D+01
                91            92            93            94            95 
      1  -0.203522D+02  0.208525D+02  0.819424D+01 -0.109283D+03 -0.911570D+02
      2  -0.748597D+02 -0.197252D+02 -0.566709D+01  0.114967D+03  0.671764D+02
      3   0.952118D+02 -0.112734D+01 -0.252715D+01 -0.568421D+01  0.239807D+02
      4   0.353243D+03 -0.366812D+02  0.899226D+01 -0.221202D+03 -0.144614D+03
      5  -0.782926D+02 -0.645351D+01 -0.226574D+02 -0.623150D+02 -0.140275D+02
      6  -0.258384D+03 -0.105075D+02 -0.988943D+00 -0.603874D+02 -0.708360D+01
                96            97            98            99           100 
      1  -0.215312D+02 -0.993699D+01 -0.130410D+02 -0.253946D+02 -0.542931D+01
      2   0.156230D+02  0.964418D+01  0.670903D+01  0.124824D+02  0.383781D+02
      3   0.590826D+01  0.292811D+00  0.633194D+01  0.129122D+02 -0.329487D+02
      4  -0.450430D+02 -0.588669D+02 -0.167316D+02 -0.333389D+02 -0.271402D+02
      5  -0.242594D+02 -0.572609D+01 -0.231685D+02 -0.113077D+02 -0.587803D+00
      6  -0.188895D+01 -0.367253D+02  0.117044D+02  0.271383D+01  0.405354D+02
               101           102           103           104           105 
      1  -0.266652D+02 -0.107492D+01  0.271241D+02  0.511468D+02  0.130812D+02
      2   0.189896D+02 -0.728887D+00 -0.942629D+02 -0.421741D+02 -0.868320D+01
      3   0.767554D+01  0.180381D+01  0.671388D+02 -0.897266D+01 -0.439804D+01
      4  -0.449813D+02 -0.497302D+01  0.181906D+03  0.304598D+02  0.757894D+01
      5  -0.325813D+01 -0.163984D+02  0.263997D+02  0.187780D+01 -0.793513D+00
      6  -0.554578D+01  0.109046D+02 -0.452627D+02  0.722677D+01 -0.771219D+01
               106           107           108           109           110 
      1   0.112882D+02  0.220049D+00 -0.349823D+01  0.224411D+02  0.119689D+02
      2  -0.170473D+02  0.503051D+01 -0.170870D+01 -0.149584D+02 -0.193982D+02
      3   0.575907D+01 -0.525056D+01  0.520693D+01 -0.748268D+01  0.742932D+01
      4   0.339687D+02 -0.120404D+02  0.151104D+02 -0.217422D+02  0.433531D+02
      5  -0.107221D+02  0.117149D+02 -0.780344D+00  0.225797D+02 -0.265167D+01
      6   0.210828D+02 -0.143154D+02 -0.275950D+00 -0.109365D+02  0.366173D+01
               111           112           113           114           115 
      1   0.122333D+02  0.487605D+01 -0.193578D+02  0.179739D+01  0.378304D+01
      2  -0.681170D+01 -0.393943D+01  0.311593D+02 -0.695546D+01 -0.786809D+01
      3  -0.542163D+01 -0.936620D+00 -0.118015D+02  0.515807D+01  0.408505D+01
      4  -0.574267D+01  0.758109D+01 -0.416264D+02  0.706030D+01 -0.216447D+02
      5   0.129277D+02 -0.135345D+02  0.808247D+01 -0.646219D+01  0.308005D+02
      6  -0.878131D+01  0.383996D+01 -0.121975D+02  0.110099D+02 -0.210585D+02
               116           117           118           119           120 
      1   0.196165D+02  0.420184D+00 -0.697592D+01 -0.319382D+02  0.654633D+01
      2  -0.245149D+02  0.687993D+00 -0.353167D+02  0.536738D+01 -0.204994D+02
      3   0.489843D+01 -0.110818D+01  0.422926D+02  0.265709D+02  0.139530D+02
      4   0.393626D+02 -0.162283D+02 -0.555592D+02 -0.419667D+02 -0.717054D+01
      5  -0.142234D+02  0.303161D+02 -0.787601D+01 -0.157764D+02  0.222709D+02
      6   0.208485D+02 -0.281224D+02 -0.166053D+02 -0.156247D+02  0.183187D+02
               121           122           123           124           125 
      1  -0.258138D+02 -0.173783D+02 -0.210434D+02  0.618139D+01 -0.191070D+02
      2  -0.261650D+01  0.164313D+01  0.210746D+02 -0.116816D+02  0.248373D+02
      3   0.284303D+02  0.157352D+02 -0.312011D-01  0.550019D+01 -0.573030D+01
      4  -0.628011D+02 -0.205858D+02 -0.601957D-01 -0.166261D+02 -0.865906D+00
      5  -0.179203D+02  0.571319D+01 -0.642869D+01  0.189459D+02 -0.370765D+01
      6  -0.148152D+02  0.121801D+02 -0.248858D+01  0.149639D+02 -0.516679D+01
               126           127           128           129           130 
      1   0.329151D+02 -0.602648D+01  0.583082D+02 -0.887046D+01  0.136186D+03
      2  -0.109633D+02  0.175170D+02 -0.365138D+02  0.140391D+02 -0.827901D+02
      3  -0.219518D+02 -0.114906D+02 -0.217943D+02 -0.516867D+01 -0.533956D+02
      4   0.109587D+02  0.659239D+02 -0.370468D+01  0.220107D+02 -0.339183D+02
      5  -0.184698D+02 -0.170722D+02  0.262909D+02 -0.334561D+02  0.501623D+02
      6  -0.240120D+02  0.106459D+02  0.580410D+00 -0.295501D+01 -0.683862D-01
               131           132           133           134           135 
      1  -0.146063D+02  0.412529D+02 -0.268727D+02  0.302160D+02 -0.420557D+02
      2   0.861357D+01 -0.248782D+02  0.209548D+02 -0.182311D+02  0.985041D+01
      3   0.599273D+01 -0.163746D+02  0.591788D+01 -0.119849D+02  0.322053D+02
      4  -0.244476D+02 -0.356901D+02  0.118315D+02 -0.336913D+02 -0.429330D+02
      5  -0.372547D+02 -0.278129D+02 -0.591760D+02 -0.344936D+02  0.110367D+02
      6  -0.123349D+02 -0.190785D+02 -0.148918D+02 -0.187538D+02 -0.354692D+01
               136           137           138           139           140 
      1   0.369652D+02  0.357189D+02 -0.825633D+01  0.551054D+02  0.437599D+00
      2  -0.863184D+01 -0.256830D+02  0.122910D+02 -0.361403D+02  0.138901D+02
      3  -0.283334D+02 -0.100360D+02 -0.403464D+01 -0.189652D+02 -0.143277D+02
      4   0.460602D+02 -0.481162D+01  0.187116D+02 -0.241919D+02 -0.657710D+01
      5  -0.293315D+01  0.314793D+02 -0.272797D+02  0.349180D+02 -0.415159D+02
      6   0.165960D+02 -0.499098D+01  0.581650D+01 -0.209752D+02 -0.956593D+01
               141           142           143           144           145 
      1   0.318345D+02 -0.994181D+01  0.252975D+02 -0.251500D+02  0.224076D+03
      2  -0.120513D+02  0.173140D+02 -0.684994D+01  0.624259D+01 -0.553672D+02
      3  -0.197832D+02 -0.737215D+01 -0.184476D+02  0.189075D+02 -0.168709D+03
      4  -0.379742D+02  0.896946D+01 -0.261247D+02 -0.193552D+02  0.136382D+03
      5  -0.946451D+01 -0.366767D+02 -0.125126D+02 -0.700486D+01 -0.165482D+03
      6  -0.303157D+02  0.424418D+00 -0.208313D+02 -0.120579D+02 -0.414685D+03
               146           147           148           149           150 
      1   0.112496D+02 -0.987511D+01  0.121641D+03 -0.745859D+01 -0.232681D+01
      2  -0.125013D+01  0.675957D+01 -0.805181D+02  0.143396D+02  0.181420D+01
      3  -0.999950D+01  0.311555D+01 -0.411232D+02 -0.688097D+01  0.512601D+00
      4  -0.305629D+02 -0.276316D+02  0.492035D+03  0.514648D+02 -0.680334D+01
      5  -0.647444D+01  0.155654D+02 -0.418475D+02 -0.777740D+01  0.970857D+01
      6  -0.176579D+02  0.193341D+01 -0.404813D+02 -0.914444D+01  0.155896D+02
               151           152           153           154           155 
      1  -0.236704D+02 -0.425865D+01 -0.271119D+01 -0.284610D+03  0.777305D+01
      2   0.207734D+02  0.280625D+01  0.170023D+01  0.793616D+02 -0.167459D+02
      3   0.289699D+01  0.145240D+01  0.101096D+01  0.205248D+03  0.897284D+01
      4  -0.538512D+02 -0.241370D+01  0.490996D+01 -0.312776D+03  0.181340D+02
      5   0.511008D+02  0.478914D+01 -0.134910D+01  0.920753D+02  0.115518D+02
      6   0.104346D+03  0.103175D+02 -0.373271D+01  0.241170D+03  0.152915D+02
               156           157           158           159           160 
      1  -0.101076D+02 -0.274298D+02  0.398767D+02 -0.403493D+01  0.333772D+02
      2   0.739921D+01  0.135776D+02 -0.436042D+02  0.190674D+01 -0.181775D+02
      3   0.270839D+01  0.138522D+02  0.372748D+01  0.212819D+01 -0.151997D+02
      4  -0.126826D+02 -0.812278D+02  0.276076D+02 -0.258940D+02  0.619743D+02
      5  -0.167012D+02  0.366387D+02  0.488464D+01  0.219265D+01  0.447797D+02
      6  -0.710392D+01 -0.559028D+02  0.206256D+02 -0.633720D+01  0.426595D+02
               161           162           163           164           165 
      1   0.699256D+01  0.757948D+01  0.421655D+02  0.116865D+02  0.145171D+02
      2   0.813702D+00 -0.149880D+02  0.367111D+02  0.548550D+01 -0.126976D+02
      3  -0.780626D+01  0.740855D+01 -0.788766D+02 -0.171720D+02 -0.181946D+01
      4   0.178712D+00  0.213766D+02  0.805036D+02  0.117004D+02 -0.111722D+02
      5   0.193145D+02 -0.787770D+01 -0.326540D+02 -0.220954D+02 -0.257625D+02
      6   0.385223D+01  0.342143D+01 -0.103132D+03 -0.149951D+02 -0.635021D+01
               166           167           168           169           170 
      1   0.160697D+03  0.170082D+02 -0.246245D+02  0.805054D+01 -0.271432D+02
      2  -0.610314D+02  0.105220D+01  0.201304D+02 -0.590659D+01  0.234073D+02
      3  -0.996654D+02 -0.180604D+02  0.449404D+01 -0.214395D+01  0.373589D+01
      4   0.138782D+03  0.129584D+02  0.142500D+02 -0.513172D+02 -0.930589D+01
      5  -0.727086D+02  0.768839D+01  0.205166D+02 -0.701001D+02 -0.185267D+02
      6  -0.503670D+02 -0.437693D+01  0.648342D+01 -0.483292D+02 -0.568705D+01
               171           172           173           174           175 
      1  -0.427105D+02 -0.190266D+02 -0.587025D+02 -0.123547D+02 -0.139254D+03
      2   0.309600D+02 -0.130270D+02  0.362858D+02  0.184156D+02  0.728911D+02
      3   0.117504D+02  0.320536D+02  0.224168D+02 -0.606096D+01  0.663629D+02
      4  -0.204892D+02 -0.615951D+02 -0.367574D+01  0.130315D+02  0.375641D+01
      5  -0.163587D+02 -0.162153D+02  0.220960D+02  0.434014D+02  0.539809D+02
      6  -0.133857D+02  0.107824D+02  0.181735D+01  0.444302D+01  0.163514D+02
               176           177           178           179           180 
      1   0.433524D+01  0.276926D+02 -0.715709D+02  0.197036D+02  0.491180D+02
      2  -0.114044D+02 -0.144692D+02  0.446915D+02 -0.141612D+02 -0.224075D+02
      3   0.706917D+01 -0.132234D+02  0.268794D+02 -0.554239D+01 -0.267105D+02
      4   0.939888D+01 -0.279091D+02 -0.903766D+01 -0.304946D+02  0.314768D+02
      5  -0.256148D+02  0.235396D+02  0.797006D+02  0.248553D+02 -0.191046D+01
      6   0.360065D+00  0.136221D+02  0.238425D+02  0.116903D+02 -0.578647D+01
               181           182           183           184           185 
      1  -0.306609D+02  0.819373D+01  0.768883D+01  0.106010D+02 -0.413963D+02
      2   0.206641D+02 -0.476411D+00 -0.439412D+01  0.815582D+01  0.240274D+02
      3   0.999686D+01 -0.771731D+01 -0.329471D+01 -0.187568D+02  0.173689D+02
      4   0.319170D+02 -0.344857D+02 -0.821733D+01 -0.127069D+03  0.521845D+01
      5   0.161439D+02 -0.109588D+02 -0.190284D+02 -0.284732D+02  0.182906D+02
      6   0.111727D+02 -0.228843D+01 -0.151885D+01 -0.747867D+01 -0.447030D+00
               186           187           188           189           190 
      1  -0.102374D+02  0.111837D+02 -0.782828D+01 -0.316832D+02  0.156872D+03
      2   0.844254D+01 -0.126490D+00  0.750471D+01  0.215348D+02 -0.662855D+02
      3   0.179484D+01 -0.110572D+02  0.323572D+00  0.101484D+02 -0.905862D+02
      4   0.209930D+02 -0.115860D+02  0.131215D+02 -0.252415D+02  0.305538D+02
      5  -0.419471D+02 -0.641511D+02 -0.293151D+02 -0.283568D+01 -0.185508D+02
      6  -0.888205D+01 -0.991258D+01 -0.601417D+01 -0.256628D+00 -0.838082D+02
               191           192           193           194           195 
      1   0.591344D+02 -0.173042D+00  0.439540D+01  0.257005D+02  0.336332D+00
      2  -0.457288D+02  0.676922D+00 -0.353674D+01 -0.620972D+01 -0.177166D+01
      3  -0.134055D+02 -0.503879D+00 -0.858659D+00 -0.194908D+02  0.143533D+01
      4   0.918283D+02 -0.118911D+01 -0.869922D+01  0.694143D+02 -0.104313D+02
      5  -0.274587D+01  0.142857D+02 -0.236353D+02 -0.102683D+02  0.140173D+02
      6   0.325332D+01 -0.141499D+01 -0.352509D+02 -0.104659D+02  0.418844D+01
               196           197           198           199           200 
      1   0.225736D+02 -0.356127D+00  0.184310D+02 -0.130624D+03 -0.124894D+02
      2  -0.150615D+02 -0.690858D-01 -0.190706D+02  0.770857D+02  0.158225D+02
      3  -0.751208D+01  0.425213D+00  0.639534D+00  0.535381D+02 -0.333318D+01
      4   0.213188D+02 -0.105051D+02  0.100035D+02 -0.260762D+02  0.126924D+02
      5   0.510918D+02  0.142109D+02 -0.688907D+01 -0.551114D+02 -0.806570D+01
      6   0.134195D+02  0.938926D+01 -0.921651D+00 -0.146143D+01  0.425064D+01
               201           202           203           204           205 
      1  -0.314244D+02 -0.152860D+02  0.241753D+02 -0.111246D+02  0.281009D+01
      2   0.109305D+02  0.730670D+01 -0.138685D+02 -0.399596D+01 -0.715215D+01
      3   0.204939D+02  0.797933D+01 -0.103068D+02  0.151206D+02  0.434206D+01
      4  -0.535627D+01  0.181397D+02 -0.848142D+01 -0.529308D+01  0.751151D+01
      5   0.112671D+02  0.287035D+01 -0.856109D+00  0.311502D+02  0.263595D+02
      6  -0.222685D+01  0.839582D+00 -0.252550D+01 -0.610005D+00  0.250138D+01
               206           207           208           209           210 
      1  -0.689410D+01  0.231968D+02 -0.177023D+02 -0.252327D+02 -0.280184D+02
      2  -0.582641D+01 -0.700465D+01 -0.104199D+02 -0.491254D+01  0.626267D+01
      3   0.127205D+02 -0.161921D+02  0.281223D+02  0.301452D+02  0.217557D+02
      4   0.245685D+01  0.309547D+02 -0.677868D+02 -0.513722D+02 -0.889081D+01
      5   0.313665D+02 -0.240407D+00 -0.243782D+02 -0.768811D+01  0.178150D+02
      6   0.243205D+01  0.112460D+02 -0.177862D+02 -0.860802D+01  0.146666D+02
               211           212           213           214           215 
      1  -0.625423D+02 -0.389208D+02  0.240859D+01  0.903955D+01  0.207268D+02
      2   0.160878D+02  0.153987D+02 -0.325041D+01 -0.119680D+02 -0.132765D+02
      3   0.464545D+02  0.235220D+02  0.841814D+00  0.292844D+01 -0.745034D+01
      4  -0.904322D+02 -0.258533D+02 -0.238642D+02  0.155965D+02  0.620543D+01
      5  -0.250578D+02 -0.283995D+02 -0.750065D+01  0.389500D+02  0.375340D+01
      6  -0.222418D+02 -0.123589D+02 -0.845325D+01  0.152244D+02 -0.497726D+01
               216           217           218           219           220 
      1   0.413782D+02  0.370198D+02  0.358456D+02  0.837109D+01  0.552147D+02
      2  -0.273360D+02 -0.863311D+01 -0.256957D+02 -0.122866D+02 -0.361119D+02
      3  -0.140422D+02 -0.283867D+02 -0.101499D+02  0.391549D+01 -0.191028D+02
      4   0.898975D+01  0.460704D+02 -0.491905D+01 -0.185914D+02 -0.243766D+02
      5   0.210046D+02  0.302358D+01 -0.313895D+02 -0.272554D+02 -0.347784D+02
      6   0.322157D+01 -0.165606D+02  0.508044D+01  0.574186D+01  0.210685D+02
               221           222           223           224           225 
      1   0.235011D+00 -0.317510D+02  0.101158D+02 -0.252068D+02 -0.250929D+02
      2   0.140041D+02  0.119222D+02 -0.173430D+02  0.673415D+01  0.618532D+01
      3  -0.142391D+02  0.198288D+02  0.722720D+01  0.184726D+02  0.189075D+02
      4  -0.648560D+01  0.380229D+02 -0.881190D+01  0.261349D+02 -0.195039D+02
      5   0.416056D+02 -0.968494D+01 -0.366472D+02 -0.127067D+02  0.691937D+01
      6   0.950017D+01 -0.303177D+02  0.363305D+00 -0.208316D+02  0.121311D+02
               226           227           228           229           230 
      1  -0.634613D+01  0.584371D+02  0.905751D+01  0.136390D+03 -0.146089D+02
      2   0.177357D+02 -0.365581D+02 -0.140902D+02 -0.828509D+02  0.858541D+01
      3  -0.113895D+02 -0.218790D+02  0.503273D+01 -0.535391D+02  0.602351D+01
      4   0.659963D+02 -0.366866D+01 -0.218947D+02 -0.337790D+02 -0.244555D+02
      5   0.172634D+02 -0.261939D+02 -0.333750D+02 -0.499886D+02  0.371661D+02
      6  -0.105831D+02 -0.571136D+00 -0.296851D+01  0.939672D-02  0.123202D+02
               231           232           233           234           235 
      1  -0.411215D+02  0.270020D+02 -0.300928D+02 -0.419038D+02 -0.684289D+01
      2   0.247823D+02 -0.209514D+02  0.181525D+02  0.971966D+01 -0.354296D+02
      3   0.163392D+02 -0.605055D+01  0.119403D+02  0.321841D+02  0.422725D+02
      4   0.356046D+02 -0.116726D+02  0.336360D+02 -0.430657D+02 -0.554954D+02
      5  -0.279857D+02 -0.590299D+02 -0.346459D+02 -0.111825D+02  0.780101D+01
      6  -0.190744D+02 -0.149315D+02 -0.187689D+02  0.353229D+01  0.165688D+02
               236           237           238           239           240 
      1  -0.318873D+02 -0.660274D+01 -0.257682D+02 -0.173814D+02  0.210256D+02
      2   0.532183D+01  0.205189D+02 -0.269813D+01  0.159431D+01 -0.210312D+02
      3   0.265655D+02 -0.139161D+02  0.284663D+02  0.157871D+02  0.565189D-02
      4  -0.419921D+02  0.709676D+01 -0.628137D+02 -0.206400D+02  0.739825D-01
      5   0.157554D+02  0.222332D+02  0.179293D+02 -0.569010D+01 -0.635971D+01
      6   0.156048D+02  0.182516D+02  0.148203D+02 -0.121577D+02 -0.241178D+01
               241           242           243           244           245 
      1  -0.627998D+01  0.190575D+02  0.328368D+02 -0.203631D+02  0.209383D+02
      2   0.116944D+02 -0.248003D+02 -0.108081D+02 -0.748204D+02 -0.198054D+02
      3  -0.541446D+01  0.574274D+01 -0.220287D+02  0.951835D+02 -0.113282D+01
      4   0.165349D+02  0.865858D+00  0.109696D+02  0.352288D+03 -0.366323D+02
      5   0.189154D+02 -0.365614D+01  0.185698D+02  0.784287D+02  0.644887D+01
      6   0.149536D+02 -0.508238D+01  0.240956D+02  0.259038D+03  0.105170D+02
               246           247           248           249           250 
      1  -0.818900D+01 -0.108283D+03 -0.911258D+02  0.215162D+02  0.976061D+01
      2   0.568460D+01  0.114282D+03  0.671774D+02 -0.156276D+02 -0.957794D+01
      3   0.250440D+01 -0.599898D+01  0.239484D+02 -0.588859D+01 -0.182670D+00
      4  -0.915246D+01 -0.219326D+03 -0.144778D+03  0.450803D+02  0.585950D+02
      5  -0.226738D+02  0.623311D+02  0.140166D+02 -0.242903D+02 -0.564172D+01
      6  -0.107353D+01  0.606482D+02  0.710874D+01 -0.190346D+01 -0.365889D+02
               251           252           253           254           255 
      1   0.130461D+02 -0.253781D+02 -0.536931D+01 -0.266724D+02  0.107288D+01
      2  -0.671645D+01  0.124814D+02  0.383278D+02  0.190025D+02  0.723958D+00
      3  -0.632965D+01  0.128966D+02 -0.329585D+02  0.766991D+01 -0.179684D+01
      4   0.167543D+02 -0.333578D+02 -0.271284D+02 -0.450276D+02  0.496797D+01
      5  -0.231767D+02  0.113032D+02  0.562038D+00  0.325135D+01 -0.164011D+02
      6   0.116943D+02 -0.269559D+01 -0.404658D+02  0.554889D+01  0.109208D+02
               256           257           258           259           260 
      1   0.268378D+02  0.511404D+02 -0.130805D+02 -0.112348D+02 -0.275989D+00
      2  -0.940093D+02 -0.421834D+02  0.870125D+01  0.170530D+02 -0.499525D+01
      3   0.671715D+02 -0.895703D+01  0.437923D+01 -0.581820D+01  0.527124D+01
      4   0.181481D+03  0.305104D+02 -0.762304D+01 -0.339046D+02  0.119937D+02
      5  -0.263059D+02 -0.186924D+01 -0.793702D+00 -0.107523D+02  0.117223D+02
      6   0.452636D+02 -0.721091D+01 -0.771887D+01  0.209512D+02 -0.143067D+02
               261           262           263           264           265 
      1  -0.351096D+01  0.223695D+02  0.119673D+02 -0.122377D+02  0.496435D+01
      2  -0.169753D+01 -0.148981D+02 -0.194124D+02  0.681447D+01 -0.400933D+01
      3   0.520849D+01 -0.747138D+01  0.744508D+01  0.542328D+01 -0.955018D+00
      4   0.151154D+02 -0.219389D+02  0.434132D+02  0.575493D+01  0.777204D+01
      5   0.757396D+00 -0.225701D+02  0.265782D+01  0.129412D+02  0.135043D+02
      6   0.288014D+00  0.109301D+02 -0.366548D+01 -0.879133D+01 -0.386294D+01
               266           267           268           269           270 
      1  -0.193373D+02 -0.179991D+01 -0.372221D+01 -0.195877D+02  0.431148D+00
      2   0.311472D+02  0.695520D+01  0.780624D+01  0.244975D+02  0.682262D+00
      3  -0.118099D+02 -0.515529D+01 -0.408403D+01 -0.490987D+01 -0.111341D+01
      4  -0.416474D+02 -0.706693D+01  0.218024D+02 -0.393699D+02 -0.162460D+02
      5  -0.808634D+01 -0.646664D+01  0.307920D+02 -0.142325D+02 -0.303212D+02
      6   0.121926D+02  0.110096D+02 -0.210325D+02  0.208443D+02  0.281167D+02
               271           272           273           274           275 
      1   0.720298D+02 -0.635240D+02  0.865064D+00  0.152018D+03 -0.164002D+02
      2   0.383520D+02  0.541697D+02 -0.312111D+01 -0.104630D+03  0.181348D+02
      3  -0.110382D+03  0.935436D+01  0.225605D+01 -0.473879D+02 -0.173463D+01
      4  -0.159380D+03 -0.121777D+02 -0.244170D+02  0.390319D+03 -0.175091D+02
      5  -0.957601D+02 -0.419694D+01  0.205843D+02  0.217771D+02  0.326975D+01
      6  -0.374564D+03 -0.101884D+02  0.953535D+01  0.119920D+03 -0.603225D+01
               276           277           278           279           280 
      1   0.261178D+01 -0.561893D+01 -0.115709D+01 -0.769458D+01  0.339825D+02
      2  -0.645099D+00 -0.280392D+01  0.302298D+01  0.505488D+01 -0.302306D+02
      3  -0.196668D+01  0.842284D+01 -0.186589D+01  0.263970D+01 -0.375195D+01
      4   0.587079D+01 -0.407771D+02  0.882408D+00 -0.148104D+01 -0.334286D+02
      5  -0.873578D+00  0.327892D+00 -0.531574D+00 -0.123495D+01  0.223970D+02
      6   0.122026D+02 -0.660999D+02  0.891840D+01 -0.444235D+01 -0.170764D+02
               281           282           283           284           285 
      1   0.164605D+02  0.599857D+01  0.776962D+01 -0.544220D+01  0.613965D+01
      2  -0.208509D+02 -0.382536D+01 -0.606161D+01  0.104415D+02 -0.807475D+01
      3   0.439034D+01 -0.217322D+01 -0.170801D+01 -0.499928D+01  0.193510D+01
      4   0.447613D+02 -0.195241D+02  0.118078D+02 -0.210831D+02  0.115606D+02
      5  -0.109689D+02  0.211603D+02 -0.725097D+00  0.102376D+02 -0.211946D+01
      6   0.732443D+01 -0.121714D+02  0.873009D+01 -0.851939D+01  0.777055D+01
               286           287           288           289           290 
      1   0.598134D+01  0.123654D+02 -0.895207D+00 -0.142651D+02 -0.227695D+02
      2  -0.187177D+02 -0.108299D+02 -0.800831D+01  0.192396D+02  0.242956D+02
      3   0.127364D+02 -0.153544D+01  0.890352D+01 -0.497451D+01 -0.152603D+01
      4  -0.239112D+02  0.256791D+02 -0.207894D+02 -0.212643D+02  0.984951D+01
      5   0.278244D+02 -0.141289D+02  0.342054D+02 -0.231002D+01 -0.133295D+01
      6  -0.263226D+02  0.148038D+02 -0.270775D+02 -0.101084D+02 -0.546638D+01
               291           292           293           294           295 
      1   0.611471D+01  0.587336D+01 -0.501019D+02  0.909480D+01 -0.303386D+00
      2  -0.370365D+01  0.104742D+02  0.661763D+02 -0.845519D+01 -0.297584D+01
      3  -0.241106D+01 -0.163476D+02 -0.160744D+02 -0.639616D+00  0.327922D+01
      4  -0.123016D+01 -0.207679D+02 -0.206186D+02  0.441997D+01  0.564587D+01
      5  -0.299405D+00 -0.205628D+01  0.312557D+01 -0.318908D+01  0.200219D+01
      6   0.734620D+01 -0.110470D+02 -0.128548D+02  0.139094D+02  0.600808D+00
               296           297           298           299           300 
      1   0.832984D+01 -0.157674D+02 -0.142880D+02 -0.227615D+02 -0.612064D+01
      2  -0.609155D+01  0.127750D+02  0.192548D+02  0.242871D+02  0.370700D+01
      3  -0.223829D+01  0.299243D+01 -0.496684D+01 -0.152563D+01  0.241364D+01
      4   0.925696D+00 -0.249722D+01 -0.213203D+02  0.985123D+01  0.123921D+01
      5  -0.643740D+01  0.331392D+01  0.230151D+01  0.133009D+01 -0.298868D+00
      6   0.178408D+02 -0.104188D+02  0.100632D+02  0.546970D+01  0.734813D+01
               301           302           303           304           305 
      1   0.583922D+01 -0.500853D+02 -0.910485D+01  0.293001D+00 -0.833160D+01
      2   0.105006D+02  0.661442D+02  0.846172D+01  0.298098D+01  0.609207D+01
      3  -0.163398D+02 -0.160590D+02  0.643126D+00 -0.327398D+01  0.223953D+01
      4  -0.208322D+02 -0.205903D+02 -0.441266D+01 -0.566225D+01 -0.920396D+00
      5   0.202115D+01 -0.312881D+01 -0.318591D+01  0.199795D+01 -0.643203D+01
      6   0.109966D+02  0.128553D+02  0.139055D+02  0.585117D+00  0.178380D+02
               306           307           308           309           310 
      1  -0.157688D+02  0.340932D+02  0.164708D+02 -0.599193D+01  0.771267D+01
      2   0.127707D+02 -0.303036D+02 -0.208581D+02  0.382137D+01 -0.602335D+01
      3   0.299807D+01 -0.378963D+01  0.438732D+01  0.217056D+01 -0.168932D+01
      4  -0.249102D+01 -0.333123D+02  0.447613D+02  0.195347D+02  0.117612D+02
      5  -0.331462D+01 -0.223838D+02  0.109776D+02  0.211606D+02  0.720732D+00
      6   0.104264D+02  0.170100D+02 -0.732847D+01 -0.121761D+02 -0.871781D+01
               311           312           313           314           315 
      1  -0.546241D+01 -0.614020D+01 -0.604247D+01 -0.123597D+02 -0.898921D+00
      2   0.104664D+02  0.807201D+01  0.187449D+02  0.108228D+02 -0.799994D+01
      3  -0.500399D+01 -0.193181D+01 -0.127024D+02  0.153686D+01  0.889886D+01
      4  -0.211108D+02 -0.115653D+02  0.238145D+02 -0.256552D+02 -0.207962D+02
      5  -0.102429D+02 -0.213075D+01  0.278141D+02 -0.141312D+02 -0.341843D+02
      6   0.852150D+01  0.777864D+01 -0.262695D+02  0.148058D+02  0.270724D+02
               316           317           318           319           320 
      1   0.541202D+02  0.259800D+02  0.929245D+01  0.374782D+02  0.189304D+02
      2  -0.178916D+02 -0.256121D+00 -0.390006D+01  0.577373D-01  0.136387D+02
      3  -0.362286D+02 -0.257239D+02 -0.539239D+01 -0.375360D+02 -0.325691D+02
      4   0.685444D+02  0.561766D+02  0.152121D+02  0.858376D+02  0.765030D+02
      5   0.316665D+02  0.180025D+02  0.186363D+02  0.345335D+02  0.272693D+02
      6   0.179042D+02  0.147003D+02  0.863477D+01  0.265476D+02  0.238295D+02
               321           322           323           324           325 
      1   0.386340D+01 -0.886466D+01 -0.285490D+01 -0.625775D-01 -0.123364D+02
      2   0.856564D+00  0.174057D+01 -0.665392D-01  0.109632D+01  0.818074D+01
      3  -0.471996D+01  0.712409D+01  0.292144D+01 -0.103374D+01  0.415570D+01
      4   0.234366D+02 -0.885504D+00  0.809567D+01  0.108327D+02  0.192060D+01
      5   0.193418D+02  0.126709D+02  0.114543D+02  0.792895D+01  0.144139D+01
      6   0.147011D+02  0.689914D+01  0.917737D+01  0.630438D+01  0.438865D+01
               326           327           328           329           330 
      1   0.194532D+02  0.307986D+02  0.532058D+01 -0.897120D+01 -0.107991D+02
      2  -0.986697D+01 -0.772857D+01 -0.441780D+00  0.678571D+01  0.721480D+01
      3  -0.958624D+01 -0.230701D+02 -0.487880D+01  0.218549D+01  0.358430D+01
      4  -0.165249D+01 -0.238301D+01  0.996951D+01  0.103607D+02  0.828972D+01
      5  -0.606122D+01 -0.193418D+02  0.255548D+01  0.920533D+01  0.661278D+01
      6  -0.995505D+01 -0.182362D+02  0.225254D+01  0.102734D+02  0.112325D+02
               331           332           333           334           335 
      1   0.641661D+01 -0.167663D+02 -0.356760D+02  0.194815D+03  0.192623D+01
      2  -0.221760D+01  0.725617D+01  0.365660D+01 -0.117430D+03 -0.830566D+00
      3  -0.419901D+01  0.951014D+01  0.320194D+02 -0.773853D+02 -0.109566D+01
      4   0.326508D+01  0.873623D+01  0.630894D+01  0.994048D+01  0.161112D+02
      5   0.644227D+01  0.114293D+02  0.295813D+02  0.845525D+02  0.489101D+00
      6   0.132686D+01  0.150386D+02  0.234322D+02  0.115569D+01  0.361697D+01
               336           337           338           339           340 
      1   0.408192D+02  0.227698D+01  0.105218D+02  0.125684D+00  0.270964D+02
      2  -0.296150D+02 -0.121446D+01 -0.492832D+01  0.537176D+00 -0.225161D+02
      3  -0.112042D+02 -0.106252D+01 -0.559347D+01 -0.662860D+00 -0.458032D+01
      4   0.451666D+00  0.199320D+02  0.581839D+00  0.626438D+01 -0.159541D+01
      5   0.395302D+02 -0.824186D+00  0.651862D+01 -0.164528D+00  0.323037D+02
      6   0.209939D+01  0.409500D+01  0.837843D+00  0.347408D+01  0.263480D+01
               341           342           343           344           345 
      1   0.860829D-01  0.181951D+02  0.108026D+02 -0.545959D+01  0.165798D+02
      2   0.186678D+01 -0.151651D+02 -0.754346D+01  0.847058D-01 -0.633105D+00
      3  -0.195286D+01 -0.302997D+01 -0.325911D+01  0.537488D+01 -0.159467D+02
      4   0.114134D+01  0.344568D-01 -0.236455D+01 -0.630966D+01  0.595180D+01
      5  -0.660345D+00  0.168241D+02  0.777851D+01  0.400386D+01 -0.130263D+02
      6   0.191228D+01 -0.130045D+00 -0.302660D+00 -0.261210D+01  0.110198D+01
               346           347           348           349           350 
      1  -0.684597D+01 -0.945866D+01  0.789773D+01  0.797819D+01  0.599657D+01
      2   0.813161D+01  0.598566D+00  0.763846D+01 -0.959452D+01  0.606628D+01
      3  -0.128564D+01  0.886010D+01 -0.155362D+02  0.161634D+01 -0.120628D+02
      4   0.472862D+01 -0.160388D+02  0.184177D+02 -0.552776D+01  0.155385D+02
      5  -0.108735D+02  0.156788D+02 -0.295949D+02  0.193855D+02 -0.203326D+02
      6   0.113950D+01 -0.717357D+01  0.889467D+01 -0.152547D+01  0.784457D+01
               351           352           353           354           355 
      1  -0.208844D+02  0.649050D+02 -0.285700D+02 -0.434036D+01 -0.444686D+02
      2  -0.175380D+02 -0.316585D+02  0.127665D+02  0.209587D+01  0.164675D+02
      3   0.384224D+02 -0.332465D+02  0.158034D+02  0.224450D+01  0.280011D+02
      4  -0.231026D+02 -0.357375D+02  0.301980D+02  0.455894D+01  0.603755D+02
      5   0.561275D+02 -0.606610D+01  0.407852D+01  0.123865D+02  0.647183D+01
      6  -0.804760D+01  0.248144D+01 -0.348999D+00 -0.960532D+00 -0.837042D+00
               356           357           358           359           360 
      1   0.185008D+02  0.356764D+01 -0.175438D+02  0.708399D+01  0.100266D+02
      2   0.682219D-01 -0.123109D+01  0.920179D+01 -0.297610D+01 -0.692099D+01
      3  -0.185690D+02 -0.233656D+01  0.834201D+01 -0.410790D+01 -0.310557D+01
      4  -0.542905D+02 -0.574302D+01  0.136941D+02 -0.913000D+01 -0.881180D+01
      5  -0.572849D+01 -0.688139D+01  0.260785D+02 -0.784235D+01 -0.624027D+01
      6   0.593744D+00  0.367690D+01 -0.263246D+01  0.468037D+01  0.965819D+00
               361           362           363           364           365 
      1  -0.432855D+02 -0.181085D+02 -0.146474D+02 -0.187317D+02 -0.112300D+02
      2   0.236697D+02  0.104797D+02 -0.589254D+01  0.114952D+02  0.390418D+01
      3   0.196159D+02  0.762880D+01  0.205400D+02  0.723648D+01  0.732580D+01
      4  -0.234498D+02 -0.101428D+02  0.116057D+01 -0.340645D+01 -0.582482D+01
      5   0.248767D+02  0.109182D+02 -0.137147D+02  0.127448D+02 -0.207203D+01
      6   0.633588D+01  0.570310D+01 -0.963181D-01  0.949206D+00  0.337566D+01
               366           367           368           369           370 
      1  -0.190434D+01  0.136744D+01  0.438774D+00 -0.108197D+02  0.167056D+01
      2  -0.426197D+01 -0.766926D+01 -0.300351D+01  0.424900D+01 -0.402080D+01
      3   0.616630D+01  0.630182D+01  0.256473D+01  0.657068D+01  0.235023D+01
      4  -0.637828D+01  0.498241D+01 -0.204400D+01 -0.457113D+01  0.927785D+00
      5  -0.626320D+01 -0.777866D+01 -0.401732D+01  0.474579D+01 -0.111842D+02
      6   0.574791D+01 -0.400607D+00  0.324540D+01  0.687671D+00 -0.340559D+01
               371           372           373           374           375 
      1   0.345827D+01 -0.860109D+01  0.109662D+01 -0.127950D+02  0.189433D+02
      2  -0.103613D+01  0.546688D+01 -0.704356D+01  0.319240D+01  0.760435D+01
      3  -0.242214D+01  0.313421D+01  0.594694D+01  0.960257D+01 -0.265476D+02
      4   0.460095D+01 -0.109892D+01  0.172344D+02  0.298230D+02 -0.255787D+02
      5  -0.970110D+00  0.105806D+02 -0.208079D+02 -0.272764D+02  0.425312D+02
      6  -0.156174D+01  0.163594D+00 -0.141063D+02 -0.266601D+02  0.293197D+02
               376           377           378           379           380 
      1  -0.266490D+01  0.118923D+02 -0.183158D+02  0.382496D+02 -0.162403D+02
      2   0.109257D+02  0.296307D+01 -0.143582D+02 -0.336394D+02  0.137738D+02
      3  -0.826079D+01 -0.148554D+02  0.326740D+02 -0.461015D+01  0.246652D+01
      4  -0.881375D+01 -0.190667D+02  0.210803D+02 -0.246389D+02  0.191071D+02
      5   0.257820D+02  0.217454D+02 -0.457348D+02 -0.488513D+02  0.210051D+02
      6   0.913115D+01  0.207346D+02 -0.255553D+02  0.106764D+02 -0.904613D+01
               381           382           383           384           385 
      1  -0.167618D+02 -0.282187D+02  0.100264D+02  0.107940D+02 -0.112508D+02
      2   0.232326D+02  0.264869D+02 -0.126248D+02 -0.199898D+02  0.202668D+02
      3  -0.647087D+01  0.173176D+01  0.259838D+01  0.919580D+01 -0.901602D+01
      4   0.154167D+02  0.288670D+02 -0.272999D+02 -0.249474D+02  0.128241D+02
      5   0.417484D+02  0.411688D+02 -0.289579D+02 -0.358324D+02  0.370565D+02
      6  -0.661004D+01 -0.161154D+02  0.134929D+02  0.154199D+02 -0.714318D+01
               386           387           388           389           390 
      1   0.471036D+01  0.781554D+01  0.501732D+02  0.999661D+01  0.220961D+02
      2  -0.881137D+01 -0.210677D+02 -0.209337D+02 -0.801680D+00 -0.717257D+01
      3   0.410101D+01  0.132521D+02 -0.292395D+02 -0.919493D+01 -0.149236D+02
      4  -0.141297D+02 -0.127704D+02  0.192455D+02  0.155540D+02  0.139490D+02
      5  -0.152807D+02 -0.372722D+02  0.213715D+02  0.101659D+02  0.207766D+02
      6   0.100393D+02  0.722600D+01  0.621380D+01  0.216228D+01  0.417318D+01
               391           392           393           394           395 
      1   0.133105D+02  0.136872D+02  0.117288D+02  0.634968D+02  0.191588D+02
      2   0.371914D+00 -0.125505D+01 -0.221653D+01 -0.251923D+02 -0.368111D+01
      3  -0.136824D+02 -0.124322D+02 -0.951227D+01 -0.383045D+02 -0.154777D+02
      4   0.269479D+02  0.202952D+02  0.875853D+01  0.321091D+02  0.194796D+02
      5   0.125314D+02  0.573357D+01  0.154483D+02  0.247114D+02  0.143603D+02
      6   0.121162D+01  0.119565D+01  0.664931D+01  0.546821D+01  0.510000D+01
               396           397           398           399           400 
      1   0.221770D+02  0.126795D+03 -0.293119D+02 -0.296673D+02 -0.117397D+03
      2  -0.551907D+01 -0.775406D+02  0.190002D+02  0.213702D+02  0.718286D+02
      3  -0.166579D+02 -0.492540D+02  0.103117D+02  0.829715D+01  0.455687D+02
      4   0.185812D+02 -0.235327D+02  0.184142D+02  0.689354D+01  0.329556D+02
      5   0.473271D+02 -0.468591D+02  0.118745D+02  0.272604D+02  0.476709D+02
      6   0.109252D+02  0.493472D+01 -0.182203D+01  0.110843D+01 -0.407645D+01
               401           402           403           404           405 
      1   0.273543D+02  0.265370D+02 -0.526795D+02  0.105154D+02  0.268883D+02
      2  -0.177630D+02 -0.201539D+02  0.373018D+02 -0.905398D+01 -0.197685D+02
      3  -0.959125D+01 -0.638309D+01  0.153777D+02 -0.146141D+01 -0.711981D+01
      4  -0.239426D+02 -0.136748D+02  0.714675D+01 -0.126823D+02 -0.199694D+01
      5  -0.163217D+02 -0.221259D+02  0.492534D+02 -0.469007D+01 -0.241490D+02
      6   0.338275D+01  0.321963D+01  0.305183D+01  0.469331D+01 -0.679841D+00
               406           407           408           409           410 
      1   0.175826D+02  0.653011D+01 -0.992711D+01  0.256613D+02  0.889529D+01
      2  -0.831011D+01 -0.153197D+01  0.520254D+01 -0.589967D+01  0.937698D+01
      3  -0.927251D+01 -0.499814D+01  0.472456D+01 -0.197616D+02 -0.182723D+02
      4   0.102547D+02  0.109277D+02 -0.484713D+01  0.551840D+02  0.635301D+02
      5  -0.146713D+02 -0.453332D+01  0.914018D+01 -0.304733D+02 -0.375154D+02
      6  -0.576411D+01 -0.255871D+01  0.188003D+01 -0.184656D+02 -0.253185D+02
               411           412           413           414           415 
      1  -0.764792D+00 -0.327105D+02 -0.169227D+01  0.854207D+01 -0.125164D+02
      2  -0.230196D+01  0.182397D+02 -0.301050D+01 -0.707287D+01  0.147202D+02
      3   0.306676D+01  0.144708D+02  0.470277D+01 -0.146920D+01 -0.220385D+01
      4  -0.366969D+02 -0.325843D+02 -0.397862D+02  0.337150D+02 -0.802223D+01
      5   0.358856D+02  0.435818D+02  0.335909D+02 -0.404557D+02  0.299632D+01
      6   0.203696D+02  0.176690D+02  0.204956D+02 -0.200815D+02  0.258799D+01
               416           417           418           419           420 
      1   0.345129D+02  0.968681D+01  0.806093D+01 -0.308981D+02 -0.108622D+02
      2  -0.379416D+02 -0.119193D+02 -0.598001D+01  0.419933D+02  0.129601D+02
      3   0.342878D+01  0.223253D+01 -0.208093D+01 -0.110952D+02 -0.209798D+01
      4  -0.176757D+01  0.117666D+01 -0.764823D-01  0.106637D+02  0.238646D+01
      5  -0.686517D+01 -0.899686D+01 -0.320273D+01  0.849142D+01  0.426431D+01
      6  -0.521884D+01 -0.119635D+02 -0.254728D+01  0.698850D+01  0.740649D+01
               421           422           423           424           425 
      1   0.722932D+01 -0.234875D+02 -0.175941D+02  0.349202D+02  0.808185D+01
      2  -0.469907D+01  0.304954D+02  0.141470D+02  0.122036D+02  0.265156D+02
      3  -0.253025D+01 -0.700792D+01  0.344706D+01 -0.471238D+02 -0.345974D+02
      4   0.564659D+01  0.110955D+02 -0.708290D-01  0.841224D+02  0.666815D+02
      5  -0.406575D+01  0.781139D+01  0.771475D+01 -0.155358D+02 -0.111089D+02
      6  -0.473969D+01  0.106305D+02  0.984763D+01 -0.125924D+02 -0.111362D+02
               426           427           428           429           430 
      1   0.317300D+00  0.878286D+01 -0.766216D+00 -0.125686D+01  0.177506D+01
      2  -0.335249D+01  0.207038D+02  0.351409D+02 -0.724121D+00  0.240886D+00
      3   0.303519D+01 -0.294867D+02 -0.343747D+02  0.198098D+01 -0.201594D+01
      4  -0.826923D+01  0.617045D+02  0.636971D+02 -0.712626D+01 -0.222832D+01
      5   0.924567D+01 -0.869039D+01 -0.787154D+01  0.814376D+01  0.867897D+01
      6   0.804486D+01 -0.535342D+01 -0.906556D+01  0.819176D+01  0.727380D+01
               431           432           433           434           435 
      1  -0.164243D+01 -0.161434D+01 -0.614612D+01  0.130605D+02 -0.145031D+02
      2   0.280635D+01  0.286891D+01  0.512840D+01 -0.970209D+01  0.258057D+01
      3  -0.116392D+01 -0.125456D+01  0.101772D+01 -0.335840D+01  0.119225D+02
      4  -0.109242D+01  0.845453D+01 -0.969344D+00  0.817730D+00 -0.348134D+01
      5   0.854604D+01 -0.453312D+01 -0.107285D+01  0.160543D+01 -0.921850D+01
      6   0.913797D+01 -0.493724D+01 -0.364931D+01  0.519766D+01 -0.155927D+02
               436           437           438           439           440 
      1  -0.739332D+00 -0.522169D+01  0.311548D+01 -0.209683D+01  0.190710D+02
      2   0.176780D+01  0.346526D+01 -0.489007D+01 -0.705234D-01 -0.167035D+02
      3  -0.102847D+01  0.175643D+01  0.177459D+01  0.216735D+01 -0.236743D+01
      4   0.443789D+00 -0.120684D+01 -0.393040D+01 -0.497514D+01 -0.123591D+02
      5  -0.102418D+01 -0.431297D+01  0.109712D+01  0.530886D+01  0.116640D+02
      6  -0.328119D+00 -0.446242D+01  0.644638D+01  0.791003D+00  0.204423D+02
               441           442           443           444           445 
      1  -0.352735D+02  0.161643D+01  0.348222D+01  0.860551D+01  0.107347D+01
      2   0.432809D+01 -0.396582D+01 -0.103220D+01 -0.542552D+01 -0.700441D+01
      3   0.309454D+02  0.234939D+01 -0.245002D+01 -0.317999D+01  0.593094D+01
      4   0.131215D+01  0.880613D+00  0.453085D+01  0.104480D+01  0.171554D+02
      5  -0.351305D+02  0.110882D+02  0.920134D+00  0.104745D+02  0.207113D+02
      6  -0.413429D+02  0.337129D+01  0.150893D+01  0.105507D+00  0.140592D+02
               446           447           448           449           450 
      1  -0.129055D+02 -0.190332D+02  0.262986D+01 -0.119486D+02 -0.183681D+02
      2   0.326857D+01 -0.754331D+01 -0.108579D+02 -0.291677D+01 -0.142695D+02
      3   0.963692D+01  0.265765D+02  0.822804D+01  0.148654D+02  0.326376D+02
      4   0.298391D+02  0.255437D+02  0.873317D+01  0.190310D+02  0.210174D+02
      5   0.272265D+02  0.424372D+02  0.256502D+02  0.216698D+02  0.455659D+02
      6   0.266962D+02  0.293247D+02  0.907321D+01  0.207323D+02  0.255217D+02
               451           452           453           454           455 
      1  -0.431968D+02 -0.180830D+02  0.145875D+02 -0.187412D+02 -0.112618D+02
      2   0.236445D+02  0.104818D+02  0.589063D+01  0.115230D+02  0.393074D+01
      3   0.195523D+02  0.760117D+01 -0.204782D+02  0.721813D+01  0.733107D+01
      4  -0.234467D+02 -0.101470D+02 -0.119541D+01 -0.345140D+01 -0.582398D+01
      5  -0.248956D+02 -0.109422D+02 -0.136886D+02 -0.127852D+02  0.204617D+01
      6  -0.636711D+01 -0.571320D+01 -0.105088D+00 -0.957609D+00 -0.337583D+01
               456           457           458           459           460 
      1   0.189081D+01 -0.143163D+01 -0.459392D+00 -0.107697D+02  0.381548D+02
      2   0.428263D+01  0.770968D+01  0.302098D+01  0.426531D+01 -0.336214D+02
      3  -0.617345D+01 -0.627805D+01 -0.256158D+01  0.650435D+01 -0.453342D+01
      4   0.636060D+01 -0.502462D+01  0.203329D+01 -0.458000D+01 -0.245693D+02
      5  -0.629693D+01 -0.783070D+01 -0.404141D+01 -0.479072D+01  0.488651D+02
      6   0.574045D+01 -0.413874D+00  0.323447D+01 -0.695548D+00 -0.106537D+02
               461           462           463           464           465 
      1  -0.161679D+02  0.167333D+02 -0.280960D+02  0.993747D+01 -0.107566D+02
      2   0.137502D+02 -0.232641D+02  0.264456D+02 -0.125935D+02  0.200084D+02
      3   0.241772D+01  0.653077D+01  0.165041D+01  0.265604D+01 -0.925186D+01
      4   0.190490D+02 -0.154228D+02  0.287641D+02 -0.272048D+02  0.249337D+02
      5  -0.209972D+02  0.418171D+02 -0.411412D+02  0.289253D+02 -0.358690D+02
      6   0.902517D+01 -0.661371D+01  0.160784D+02 -0.134567D+02  0.154236D+02
               466           467           468           469           470 
      1   0.112679D+02 -0.470454D+01  0.780129D+01  0.175210D+02  0.653597D+01
      2  -0.203398D+02  0.883495D+01 -0.211636D+02 -0.827853D+01 -0.154023D+01
      3   0.907190D+01 -0.413040D+01  0.133623D+02 -0.924242D+01 -0.499574D+01
      4  -0.128370D+02  0.141465D+02 -0.128127D+02  0.102230D+02  0.109058D+02
      5   0.371722D+02 -0.153260D+02  0.374473D+02  0.146421D+02  0.451568D+01
      6  -0.715463D+01  0.100510D+02 -0.724999D+01  0.574863D+01  0.255357D+01
               471           472           473           474           475 
      1   0.990566D+01  0.256754D+02  0.886962D+01  0.752202D+00  0.326552D+02
      2  -0.519560D+01 -0.592865D+01  0.936494D+01  0.229002D+01 -0.182369D+02
      3  -0.471007D+01 -0.197468D+02 -0.182346D+02 -0.304223D+01 -0.144184D+02
      4   0.482296D+01  0.551689D+02  0.635281D+02  0.367178D+02  0.325247D+02
      5   0.913245D+01  0.304936D+02  0.375413D+02  0.358966D+02  0.435990D+02
      6   0.187195D+01  0.184815D+02  0.253406D+02  0.203851D+02  0.176631D+02
               476           477           478           479           480 
      1   0.165515D+01  0.854387D+01  0.126371D+03 -0.292888D+02  0.296815D+02
      2   0.300814D+01 -0.709774D+01 -0.773282D+02  0.189896D+02 -0.213959D+02
      3  -0.466329D+01 -0.144613D+01 -0.490424D+02  0.102992D+02 -0.828559D+01
      4   0.397681D+02  0.336972D+02 -0.235572D+02  0.184023D+02 -0.693535D+01
      5   0.335750D+02  0.404686D+02  0.468897D+02 -0.119183D+02  0.273013D+02
      6   0.204986D+02  0.200854D+02 -0.494071D+01  0.182574D+01  0.109806D+01
               481           482           483           484           485 
      1  -0.117265D+03  0.273456D+02 -0.266044D+02  0.527508D+02 -0.105596D+02
      2   0.717890D+02 -0.177707D+02  0.202201D+02 -0.373876D+02  0.909196D+01
      3   0.454765D+02 -0.957497D+01  0.638432D+01 -0.153632D+02  0.146763D+01
      4   0.330020D+02 -0.239789D+02  0.137378D+02 -0.721380D+01  0.127287D+02
      5  -0.478110D+02  0.163876D+02 -0.222230D+02  0.493755D+02 -0.474393D+01
      6   0.410327D+01 -0.340048D+01  0.323542D+01  0.303446D+01  0.470283D+01
               486           487           488           489           490 
      1   0.269429D+02  0.504303D+02  0.100467D+02 -0.221638D+02  0.133386D+02
      2  -0.198402D+02 -0.210423D+02 -0.819693D+00  0.719358D+01  0.356248D+00
      3  -0.710270D+01 -0.293880D+02 -0.922699D+01  0.149702D+02 -0.136948D+02
      4  -0.204576D+01  0.193152D+02  0.155797D+02 -0.139523D+02  0.269445D+02
      5   0.242785D+02 -0.213932D+02 -0.101598D+02  0.208200D+02 -0.125186D+02
      6   0.675071D+00 -0.620982D+01 -0.215384D+01  0.417415D+01 -0.119394D+01
               491           492           493           494           495 
      1   0.137000D+02 -0.117438D+02 -0.635868D+02 -0.191658D+02  0.222379D+02
      2  -0.128077D+01  0.223691D+01  0.252315D+02  0.370102D+01 -0.555552D+01
      3  -0.124192D+02  0.950692D+01  0.383553D+02  0.154647D+02 -0.166824D+02
      4   0.202508D+02 -0.871769D+01 -0.320883D+02 -0.194293D+02  0.185210D+02
      5  -0.568834D+01  0.153823D+02  0.246984D+02  0.142910D+02 -0.472557D+02
      6  -0.117688D+01  0.663038D+01  0.545066D+01  0.507540D+01 -0.108926D+02
               496           497           498           499           500 
      1   0.195100D+03  0.183711D+01 -0.407359D+02  0.218279D+01  0.105373D+02
      2  -0.117529D+03 -0.778074D+00  0.295377D+02 -0.116127D+01 -0.493624D+01
      3  -0.775703D+02 -0.105904D+01  0.111982D+02 -0.102152D+01 -0.560108D+01
      4   0.978775D+01  0.161105D+02 -0.407751D+00  0.199095D+02  0.556329D+00
      5  -0.843858D+02 -0.440794D+00  0.394322D+02  0.873954D+00 -0.650409D+01
      6  -0.110915D+01 -0.360826D+01  0.208052D+01 -0.409544D+01 -0.826761D+00
               501           502           503           504           505 
      1  -0.101064D+00 -0.269013D+02 -0.713923D-01  0.181446D+02  0.108446D+02
      2  -0.552490D+00  0.223696D+02 -0.187643D+01 -0.151062D+02 -0.755779D+01
      3   0.653553D+00  0.453174D+01  0.194782D+01 -0.303847D+01 -0.328683D+01
      4  -0.624950D+01  0.165596D+01 -0.112220D+01  0.127176D-01 -0.237029D+01
      5  -0.186261D+00  0.321683D+02 -0.681006D+00 -0.167143D+02 -0.777071D+01
      6   0.346639D+01  0.262722D+01  0.190356D+01  0.144303D+00  0.311112D+00
               506           507           508           509           510 
      1  -0.546938D+01 -0.165364D+02 -0.687614D+01 -0.944187D+01 -0.786357D+01
      2   0.100654D+00  0.633671D+00  0.815429D+01  0.592264D+00 -0.764580D+01
      3   0.536873D+01  0.159027D+02 -0.127815D+01  0.884960D+01  0.155094D+02
      4  -0.630226D+01 -0.593180D+01  0.474818D+01 -0.160636D+02 -0.184468D+02
      5  -0.398922D+01 -0.130092D+02  0.109073D+02 -0.157124D+02 -0.296241D+02
      6   0.260678D+01  0.110048D+01 -0.115082D+01  0.718106D+01  0.890480D+01
               511           512           513           514           515 
      1  -0.796675D+01 -0.597244D+01 -0.208356D+02 -0.122916D+02  0.194388D+02
      2   0.960097D+01 -0.608061D+01 -0.175539D+02  0.816026D+01 -0.985116D+01
      3  -0.163422D+01  0.120531D+02  0.383895D+02  0.413131D+01 -0.958761D+01
      4   0.555594D+01 -0.155703D+02 -0.231330D+02  0.193042D+01 -0.165986D+01
      5   0.194271D+02 -0.203721D+02 -0.562023D+02 -0.144766D+01  0.607265D+01
      6  -0.154992D+01  0.785777D+01  0.806646D+01 -0.438219D+01  0.994817D+01
               516           517           518           519           520 
      1  -0.307843D+02  0.532325D+01 -0.896181D+01  0.108084D+02 -0.639280D+01
      2   0.771049D+01 -0.446146D+00  0.677078D+01 -0.721101D+01  0.221187D+01
      3   0.230738D+02 -0.487710D+01  0.219103D+01 -0.359742D+01  0.418094D+01
      4   0.240456D+01  0.997649D+01  0.103679D+02 -0.831217D+01 -0.326287D+01
      5  -0.193794D+02 -0.256336D+01 -0.922512D+01  0.664329D+01  0.647539D+01
      6  -0.182364D+02 -0.225857D+01 -0.102777D+02  0.112532D+02  0.134852D+01
               521           522           523           524           525 
      1   0.167847D+02 -0.357243D+02  0.542881D+02  0.260515D+02 -0.931789D+01
      2  -0.725290D+01  0.363400D+01 -0.179781D+02 -0.296440D+00  0.391300D+01
      3  -0.953178D+01  0.320903D+02 -0.363100D+02 -0.257551D+02  0.540489D+01
      4  -0.876200D+01  0.635387D+01  0.686371D+02  0.562022D+02 -0.152098D+02
      5   0.114756D+02 -0.297168D+02 -0.316794D+02 -0.179996D+02  0.186409D+02
      6   0.150610D+02 -0.234920D+02 -0.178866D+02 -0.146864D+02  0.862570D+01
               526           527           528           529           530 
      1   0.375993D+02  0.190226D+02 -0.389768D+01  0.886035D+01  0.285502D+01
      2  -0.197972D-01  0.135564D+02 -0.825362D+00 -0.173166D+01  0.797954D-01
      3  -0.375795D+02 -0.325790D+02  0.472304D+01 -0.712868D+01 -0.293481D+01
      4   0.858355D+02  0.764500D+02 -0.234110D+02  0.858052D+00 -0.804309D+01
      5  -0.345278D+02 -0.272385D+02  0.193367D+02  0.126424D+02  0.114384D+02
      6  -0.265187D+02 -0.237758D+02  0.146777D+02  0.686828D+01  0.915125D+01
               531           532           533           534           535 
      1  -0.609985D-01  0.647272D+02 -0.285314D+02  0.434187D+01 -0.444213D+02
      2   0.109015D+01 -0.315590D+02  0.127456D+02 -0.209565D+01  0.164425D+02
      3  -0.102915D+01 -0.331683D+02  0.157858D+02 -0.224622D+01  0.279788D+02
      4   0.108213D+02 -0.357093D+02  0.301829D+02 -0.458471D+01  0.603363D+02
      5  -0.790795D+01  0.610237D+01 -0.410486D+01  0.123833D+02 -0.652430D+01
      6  -0.628943D+01 -0.247379D+01  0.360338D+00 -0.962314D+00  0.870579D+00
               536           537           538           539           540 
      1   0.184708D+02 -0.358254D+01  0.175499D+02 -0.709908D+01  0.100201D+02
      2   0.937023D-01  0.123561D+01 -0.920593D+01  0.298044D+01 -0.691793D+01
      3  -0.185645D+02  0.234693D+01 -0.834401D+01  0.411864D+01 -0.310216D+01
      4  -0.543304D+02  0.577846D+01 -0.137447D+02  0.918198D+01 -0.883397D+01
      5   0.577309D+01 -0.689683D+01  0.260930D+02 -0.786412D+01  0.628052D+01
      6  -0.613758D+00  0.368420D+01 -0.264345D+01  0.468940D+01 -0.973293D+00
               541           542           543           544           545 
      1   0.350126D+02  0.812680D+01 -0.292169D+00  0.881524D+01 -0.714082D+00
      2   0.121504D+02  0.264884D+02  0.334220D+01  0.206568D+02  0.350542D+02
      3  -0.471630D+02 -0.346152D+02 -0.305004D+01 -0.294720D+02 -0.343401D+02
      4   0.841954D+02  0.667170D+02  0.828583D+01  0.617001D+02  0.636389D+02
      5   0.155612D+02  0.111125D+02  0.925540D+01  0.869753D+01  0.786759D+01
      6   0.126081D+02  0.111377D+02  0.804144D+01  0.536407D+01  0.905290D+01
               546           547           548           549           550 
      1   0.126882D+01 -0.174896D+01  0.164218D+01 -0.161214D+01 -0.124717D+02
      2   0.717733D+00 -0.225994D+00 -0.277800D+01  0.287872D+01  0.146834D+02
      3  -0.198655D+01  0.197495D+01  0.113582D+01 -0.126658D+01 -0.221171D+01
      4   0.713090D+01  0.229487D+01  0.114505D+01  0.846598D+01 -0.797601D+01
      5   0.814725D+01  0.869798D+01  0.856123D+01  0.453872D+01 -0.297199D+01
      6   0.819241D+01  0.728483D+01  0.915226D+01  0.494214D+01 -0.259459D+01
               551           552           553           554           555 
      1   0.344901D+02 -0.971698D+01  0.804143D+01 -0.309329D+02  0.109094D+02
      2  -0.379135D+02  0.119485D+02 -0.595235D+01  0.420477D+02 -0.130190D+02
      3   0.342338D+01 -0.223150D+01 -0.208908D+01 -0.111148D+02  0.210967D+01
      4  -0.178024D+01 -0.115263D+01 -0.504768D-01  0.107229D+02 -0.240835D+01
      5   0.687954D+01 -0.900672D+01  0.319379D+01 -0.852096D+01  0.429649D+01
      6   0.526168D+01 -0.119767D+02  0.253751D+01 -0.704310D+01  0.744487D+01
               556           557           558           559           560 
      1  -0.722359D+01  0.235551D+02 -0.176532D+02 -0.616440D+01  0.131046D+02
      2   0.469511D+01 -0.305787D+02  0.142140D+02  0.513500D+01 -0.975205D+01
      3   0.252848D+01  0.702356D+01  0.343916D+01  0.102940D+01 -0.335252D+01
      4  -0.564264D+01 -0.111463D+02 -0.386134D-01 -0.100319D+01  0.790222D+00
      5  -0.406280D+01  0.785729D+01 -0.777151D+01  0.107423D+01 -0.161664D+01
      6  -0.473460D+01  0.106912D+02 -0.991451D+01  0.365677D+01 -0.521916D+01
               561           562           563           564           565 
      1   0.145341D+02 -0.731802D+00 -0.525125D+01 -0.313713D+01  0.212033D+01
      2  -0.260549D+01  0.175331D+01  0.349058D+01  0.489435D+01  0.765130D-01
      3  -0.119286D+02 -0.102151D+01  0.176066D+01 -0.175722D+01 -0.219685D+01
      4   0.349021D+01  0.435648D+00 -0.120483D+01  0.392986D+01  0.498238D+01
      5  -0.924979D+01  0.102434D+01  0.431769D+01  0.112278D+01  0.526344D+01
      6  -0.156290D+02  0.315543D+00  0.447699D+01  0.647253D+01  0.747606D+00
               566           567 
      1  -0.190782D+02 -0.352608D+02
      2   0.167248D+02  0.439776D+01
      3   0.235337D+01  0.308631D+02
      4   0.123595D+02  0.129420D+01
      5   0.116617D+02  0.350534D+02
      6   0.204438D+02  0.412752D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.455276D+03      0.674649D+02      0.750648D+02
   aniso      0.444437D+03      0.658587D+02      0.732777D+02
   xx         0.742648D+03      0.110049D+03      0.122446D+03
   yx         0.408928D+02      0.605969D+01      0.674231D+01
   yy         0.358835D+03      0.531738D+02      0.591638D+02
   zx        -0.448472D-01     -0.664567D-02     -0.739431D-02
   zy        -0.232349D-02     -0.344305D-03     -0.383091D-03
   zz         0.264345D+03      0.391718D+02      0.435845D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.455276D+03      0.674649D+02      0.750648D+02
   aniso      0.444437D+03      0.658587D+02      0.732777D+02
   xx         0.742646D+03      0.110049D+03      0.122446D+03
   yx         0.408938D+02      0.605984D+01      0.674248D+01
   yy         0.358834D+03      0.531738D+02      0.591638D+02
   zx         0.914621D+00      0.135533D+00      0.150801D+00
   zy        -0.107077D+00     -0.158671D-01     -0.176546D-01
   zz         0.264347D+03      0.391721D+02      0.435849D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-P26-19\Freq\ULC-PBEPBE\Gen\C24H28Cu1F6O4(2)\PIERPA\29-Aug
 -2021\0\\#P SP LC-PBEPBE/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(XQ
 C,NoSymm,MaxCyc=120,Tight) Polar=ROA Guess=Read Geom=Check CPHF=(MaxIn
 v=10000,RdFreq) IOp(1/33=1,3/107=0180000000,3/108=0180000000,3/119=100
 0000000,3/120=1000000000,3/130=-1,3/131=-1)\\ROA calculations.\\0,2\C,
 5.099189,0.440206,-1.428409\C,4.731367,-0.240607,-0.085627\C,3.223966,
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 .170466\C,4.459164,1.846107,-1.275796\C,4.878568,0.930415,0.934933\O,1
 .485437,1.253491,0.059935\Cu,0.0001,0.000628,-0.111188\O,1.155806,-1.5
 46914,-0.283129\C,2.427016,-1.519432,-0.275967\C,3.097988,-2.89591,-0.
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 ion=ES64L-G16RevA.03\State=2-A\HF=-3472.8910172\S2=0.7526\S2-1=0.\S2A=
 0.750006\RMSD=1.549e-09\RMSF=1.183e-05\ZeroPoint=0.490343\Thermal=0.52
 49886\Dipole=0.0006143,-0.000578,0.2815983\DipoleDeriv=0.0603933,-0.00
 23955,0.0007387,0.0216441,0.0055311,0.0220477,-0.0128906,0.0375742,0.0
 11044,0.1864254,0.00374,-0.0100302,-0.0679313,0.1073107,-0.0432024,0.0
 230438,-0.030194,0.0798959,-0.198227,0.0181443,0.0183289,-0.4867856,-1
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 @


 THE SECRET OF SUCCESS IN LIFE IS TO EAT WHAT YOU LIKE, AND LET THE FOOD
 FIGHT IT OUT INSIDE YOU. -- FROM A FORTUNE COOKIE
 Job cpu time:      23 days  5 hours 47 minutes 55.8 seconds.
 Elapsed time:       2 days 22 hours  9 minutes 36.8 seconds.
 File lengths (MBytes):  RWF=   7837 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sun Aug 29 07:43:13 2021.
